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Benzenesulfonyl compounds

Organosulfur compounds that consist of a benzene ring substituted with a sulfonyl group that is subsequently bonded to an organic functional group.

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1

(Phenylsulfonyl)acetic acid, 97%

CAS: 3959-23-7 Molecular Formula: C8H8O4S Molecular Weight (g/mol): 200.208 MDL Number: MFCD00025042 InChI Key: YTEFAALYDTWTLB-UHFFFAOYSA-N Synonym: phenylsulfonyl acetic acid,2-phenylsulfonyl acetic acid,2-benzenesulfonyl acetic acid,phenylsulfonylacetic acid,acetic acid, phenylsulfonyl,benzenesulfonyl-acetic acid,benzenesulfonyl acetic acid,2-phenylsulphonyl acetic acid,benzenesulfonylacetic acid,phenyl sulfonylacetic acid PubChem CID: 59543 IUPAC Name: 2-(benzenesulfonyl)acetic acid SMILES: C1=CC=C(C=C1)S(=O)(=O)CC(=O)O

PubChem CID 59543
CAS 3959-23-7
Molecular Weight (g/mol) 200.208
MDL Number MFCD00025042
SMILES C1=CC=C(C=C1)S(=O)(=O)CC(=O)O
Synonym phenylsulfonyl acetic acid,2-phenylsulfonyl acetic acid,2-benzenesulfonyl acetic acid,phenylsulfonylacetic acid,acetic acid, phenylsulfonyl,benzenesulfonyl-acetic acid,benzenesulfonyl acetic acid,2-phenylsulphonyl acetic acid,benzenesulfonylacetic acid,phenyl sulfonylacetic acid
IUPAC Name 2-(benzenesulfonyl)acetic acid
InChI Key YTEFAALYDTWTLB-UHFFFAOYSA-N
Molecular Formula C8H8O4S
2

4-(Trifluoromethylsulfonyl)phenylacetic acid, 98%

CAS: 1099597-82-6 Molecular Formula: C9H7F3O4S Molecular Weight (g/mol): 268.206 MDL Number: MFCD04973012 InChI Key: FIEUCHICQSJBAU-UHFFFAOYSA-N Synonym: 4-trifluoromethylsulfony phenylacetic acid,2-4-trifluoromethyl sulfonyl phenyl acetic acid,4-trifluoromethanesulfonylphenyl acetic acid,4-trifluoromethylsulfonyl phenylacetic acid,4-trifluoromethanesulfonyl phenyl acetic acid PubChem CID: 40427164 IUPAC Name: 2-[4-(trifluoromethylsulfonyl)phenyl]acetic acid SMILES: C1=CC(=CC=C1CC(=O)O)S(=O)(=O)C(F)(F)F

PubChem CID 40427164
CAS 1099597-82-6
Molecular Weight (g/mol) 268.206
MDL Number MFCD04973012
SMILES C1=CC(=CC=C1CC(=O)O)S(=O)(=O)C(F)(F)F
Synonym 4-trifluoromethylsulfony phenylacetic acid,2-4-trifluoromethyl sulfonyl phenyl acetic acid,4-trifluoromethanesulfonylphenyl acetic acid,4-trifluoromethylsulfonyl phenylacetic acid,4-trifluoromethanesulfonyl phenyl acetic acid
IUPAC Name 2-[4-(trifluoromethylsulfonyl)phenyl]acetic acid
InChI Key FIEUCHICQSJBAU-UHFFFAOYSA-N
Molecular Formula C9H7F3O4S
3

4-(Methanesulfonyl)phenylboronic acid, 98+%

CAS: 149104-88-1 Molecular Formula: C7H9BO4S Molecular Weight (g/mol): 200.02 MDL Number: MFCD01630820 InChI Key: VDUKDQTYMWUSAC-UHFFFAOYSA-N Synonym: 4-methylsulfonyl phenylboronic acid,4-methanesulfonyl phenylboronic acid,4-methylsulfonyl phenyl boronic acid,4-methanesulfonyl benzeneboronic acid,4-methanesulfonylphenylboronic acid,4-methylsulfonylphenyl boronic acid,4-boronophenyl methyl sulphone,4-methylsulphonyl phenylboronic acid,4-methylsulphonyl benzeneboronic acid,4-methanesulfonylphenyl boranediol PubChem CID: 2734364 IUPAC Name: (4-methylsulfonylphenyl)boronic acid SMILES: CS(=O)(=O)C1=CC=C(C=C1)B(O)O

PubChem CID 2734364
CAS 149104-88-1
Molecular Weight (g/mol) 200.02
MDL Number MFCD01630820
SMILES CS(=O)(=O)C1=CC=C(C=C1)B(O)O
Synonym 4-methylsulfonyl phenylboronic acid,4-methanesulfonyl phenylboronic acid,4-methylsulfonyl phenyl boronic acid,4-methanesulfonyl benzeneboronic acid,4-methanesulfonylphenylboronic acid,4-methylsulfonylphenyl boronic acid,4-boronophenyl methyl sulphone,4-methylsulphonyl phenylboronic acid,4-methylsulphonyl benzeneboronic acid,4-methanesulfonylphenyl boranediol
IUPAC Name (4-methylsulfonylphenyl)boronic acid
InChI Key VDUKDQTYMWUSAC-UHFFFAOYSA-N
Molecular Formula C7H9BO4S
4

4-(Methylsulfonyl)phenylacetic acid, 97%

CAS: 90536-66-6 Molecular Formula: C9H10O4S Molecular Weight (g/mol): 214.235 MDL Number: MFCD00216495 InChI Key: HGGWOSYNRVOQJH-UHFFFAOYSA-N Synonym: 4-methylsulfonyl phenylacetic acid,4-methylsulphonylphenylacetic acid,2-4-methylsulfonyl phenyl acetic acid,4-mesylphenylacetic acid,4-methanesulfonylphenyl acetic acid,4-methylsulfonyl phenyl acetic acid,4-methanesulfonyl phenylacetic acid,2-4-methanesulfonylphenyl acetic acid,4-methylsulfonylphenylacetic acid PubChem CID: 572345 IUPAC Name: 2-(4-methylsulfonylphenyl)acetic acid SMILES: CS(=O)(=O)C1=CC=C(C=C1)CC(=O)O

PubChem CID 572345
CAS 90536-66-6
Molecular Weight (g/mol) 214.235
MDL Number MFCD00216495
SMILES CS(=O)(=O)C1=CC=C(C=C1)CC(=O)O
Synonym 4-methylsulfonyl phenylacetic acid,4-methylsulphonylphenylacetic acid,2-4-methylsulfonyl phenyl acetic acid,4-mesylphenylacetic acid,4-methanesulfonylphenyl acetic acid,4-methylsulfonyl phenyl acetic acid,4-methanesulfonyl phenylacetic acid,2-4-methanesulfonylphenyl acetic acid,4-methylsulfonylphenylacetic acid
IUPAC Name 2-(4-methylsulfonylphenyl)acetic acid
InChI Key HGGWOSYNRVOQJH-UHFFFAOYSA-N
Molecular Formula C9H10O4S
5

4-(Ethylsulfonyl)benzeneboronic acid, 98+%

CAS: 352530-24-6 Molecular Formula: C8H11BO4S Molecular Weight (g/mol): 214.042 MDL Number: MFCD02093076 InChI Key: CVBNDDGEVPNUNA-UHFFFAOYSA-N Synonym: 4-ethylsulfonyl phenylboronic acid,4-ethylsulfonyl phenyl boronic acid,4-ethanesulfonyl benzeneboronic acid,4-ethanesulfonyl phenylboronic acid,4-ethylsulfonylphenyl boronic acid,4-ethylsulphonyl benzeneboronic acid,boronic acid, 4-ethylsulfonyl phenyl,4-ethanesulfonyl phenyl boranediol,4-ethanesulphonyl benzeneboronic acid PubChem CID: 2773420 IUPAC Name: (4-ethylsulfonylphenyl)boronic acid SMILES: B(C1=CC=C(C=C1)S(=O)(=O)CC)(O)O

PubChem CID 2773420
CAS 352530-24-6
Molecular Weight (g/mol) 214.042
MDL Number MFCD02093076
SMILES B(C1=CC=C(C=C1)S(=O)(=O)CC)(O)O
Synonym 4-ethylsulfonyl phenylboronic acid,4-ethylsulfonyl phenyl boronic acid,4-ethanesulfonyl benzeneboronic acid,4-ethanesulfonyl phenylboronic acid,4-ethylsulfonylphenyl boronic acid,4-ethylsulphonyl benzeneboronic acid,boronic acid, 4-ethylsulfonyl phenyl,4-ethanesulfonyl phenyl boranediol,4-ethanesulphonyl benzeneboronic acid
IUPAC Name (4-ethylsulfonylphenyl)boronic acid
InChI Key CVBNDDGEVPNUNA-UHFFFAOYSA-N
Molecular Formula C8H11BO4S
6

2-(Methylsulfonyl)benzeneboronic acid, 98%

CAS: 330804-03-0 Molecular Formula: C7H9BO4S Molecular Weight (g/mol): 200.015 MDL Number: MFCD02179472 InChI Key: MSQFFCRGQPVQRS-UHFFFAOYSA-N Synonym: 2-methylsulfonyl phenylboronic acid,2-methylsulfonyl phenyl boronic acid,2-methylsulfonylphenyl boronic acid,2-methanesulfonyl phenylboronic acid,2-methylsulphonyl phenylboronic acid,2-methanesulfonylphenylboronic acid,2-methylsulphonyl benzeneboronic acid,2-methylsulfonyl benzeneboronic acid,b-2-methylsulfonyl phenyl-boronic acid PubChem CID: 2773539 IUPAC Name: (2-methylsulfonylphenyl)boronic acid SMILES: B(C1=CC=CC=C1S(=O)(=O)C)(O)O

PubChem CID 2773539
CAS 330804-03-0
Molecular Weight (g/mol) 200.015
MDL Number MFCD02179472
SMILES B(C1=CC=CC=C1S(=O)(=O)C)(O)O
Synonym 2-methylsulfonyl phenylboronic acid,2-methylsulfonyl phenyl boronic acid,2-methylsulfonylphenyl boronic acid,2-methanesulfonyl phenylboronic acid,2-methylsulphonyl phenylboronic acid,2-methanesulfonylphenylboronic acid,2-methylsulphonyl benzeneboronic acid,2-methylsulfonyl benzeneboronic acid,b-2-methylsulfonyl phenyl-boronic acid
IUPAC Name (2-methylsulfonylphenyl)boronic acid
InChI Key MSQFFCRGQPVQRS-UHFFFAOYSA-N
Molecular Formula C7H9BO4S
7

3-(Methylsulfonyl)benzeneboronic acid, 98%

CAS: 373384-18-0 Molecular Formula: C7H9BO4S Molecular Weight (g/mol): 200.015 MDL Number: MFCD03092935 InChI Key: HZFFUMBZBGETES-UHFFFAOYSA-N Synonym: 3-methylsulfonyl phenylboronic acid,3-methylsulfonyl phenyl boronic acid,3-methylsulfonylphenyl boronic acid,3-methanesulfonyl phenylboronic acid,3-methanesulfonyl phenyl boronic acid,3-methanesulfonylphenylboronic acid,boronic acid, 3-methylsulfonyl phenyl,3-methanesulfonylphenyl boronic acid,3-methanesulphonyl phenylboronic acid PubChem CID: 2773542 IUPAC Name: (3-methylsulfonylphenyl)boronic acid SMILES: B(C1=CC(=CC=C1)S(=O)(=O)C)(O)O

PubChem CID 2773542
CAS 373384-18-0
Molecular Weight (g/mol) 200.015
MDL Number MFCD03092935
SMILES B(C1=CC(=CC=C1)S(=O)(=O)C)(O)O
Synonym 3-methylsulfonyl phenylboronic acid,3-methylsulfonyl phenyl boronic acid,3-methylsulfonylphenyl boronic acid,3-methanesulfonyl phenylboronic acid,3-methanesulfonyl phenyl boronic acid,3-methanesulfonylphenylboronic acid,boronic acid, 3-methylsulfonyl phenyl,3-methanesulfonylphenyl boronic acid,3-methanesulphonyl phenylboronic acid
IUPAC Name (3-methylsulfonylphenyl)boronic acid
InChI Key HZFFUMBZBGETES-UHFFFAOYSA-N
Molecular Formula C7H9BO4S
8

4-(Methylsulfonyl)benzoic acid, 98%

CAS: 4052-30-6 Molecular Formula: C8H8O4S Molecular Weight (g/mol): 200.208 MDL Number: MFCD00007564 InChI Key: AJBWNNKDUMXZLM-UHFFFAOYSA-N Synonym: 4-methylsulfonyl benzoic acid,p-methylsulfonylbenzoic acid,4-methanesulfonyl-benzoic acid,4-methylsulphonylbenzoic acid,4-methylsulphonyl benzoic acid,4-methanesulfonylbenzoic acid,benzoic acid, 4-methylsulfonyl,p-methylsulphonyl benzoic acid,4-methanesulfonyl benzoic acid PubChem CID: 77670 IUPAC Name: 4-methylsulfonylbenzoic acid SMILES: CS(=O)(=O)C1=CC=C(C=C1)C(=O)O

PubChem CID 77670
CAS 4052-30-6
Molecular Weight (g/mol) 200.208
MDL Number MFCD00007564
SMILES CS(=O)(=O)C1=CC=C(C=C1)C(=O)O
Synonym 4-methylsulfonyl benzoic acid,p-methylsulfonylbenzoic acid,4-methanesulfonyl-benzoic acid,4-methylsulphonylbenzoic acid,4-methylsulphonyl benzoic acid,4-methanesulfonylbenzoic acid,benzoic acid, 4-methylsulfonyl,p-methylsulphonyl benzoic acid,4-methanesulfonyl benzoic acid
IUPAC Name 4-methylsulfonylbenzoic acid
InChI Key AJBWNNKDUMXZLM-UHFFFAOYSA-N
Molecular Formula C8H8O4S
11

4-[(4-chlorophenyl)sulfonyl]-3-thiophenecarboxylic acid, 97%, Thermo Scientific™

CAS: 423769-77-1 Molecular Formula: C11H7ClO4S2 Molecular Weight (g/mol): 302.743 MDL Number: MFCD03407362 InChI Key: MSVUIONRVJKUIB-UHFFFAOYSA-N Synonym: 4-4-chlorophenyl sulfonyl-3-thiophenecarboxylic acid,4-4-chlorophenyl sulfonylthiophene-3-carboxylic acid,4-4-chlorobenzenesulfonyl thiophene-3-carboxylic acid,3-thiophenecarboxylicacid, 4-4-chlorophenyl sulfonyl,maybridge3_004411,3-thiophenecarboxylicacid,4-4-chlorophenyl sulfonyl,4-4-chlorophenyl sulfonyl thiophene-3-carboxylic acid,4-4-chlorobenzene-1-sulfonyl thiophene-3-carboxylic acid PubChem CID: 2779802 IUPAC Name: 4-(4-chlorophenyl)sulfonylthiophene-3-carboxylic acid SMILES: C1=CC(=CC=C1S(=O)(=O)C2=CSC=C2C(=O)O)Cl

PubChem CID 2779802
CAS 423769-77-1
Molecular Weight (g/mol) 302.743
MDL Number MFCD03407362
SMILES C1=CC(=CC=C1S(=O)(=O)C2=CSC=C2C(=O)O)Cl
Synonym 4-4-chlorophenyl sulfonyl-3-thiophenecarboxylic acid,4-4-chlorophenyl sulfonylthiophene-3-carboxylic acid,4-4-chlorobenzenesulfonyl thiophene-3-carboxylic acid,3-thiophenecarboxylicacid, 4-4-chlorophenyl sulfonyl,maybridge3_004411,3-thiophenecarboxylicacid,4-4-chlorophenyl sulfonyl,4-4-chlorophenyl sulfonyl thiophene-3-carboxylic acid,4-4-chlorobenzene-1-sulfonyl thiophene-3-carboxylic acid
IUPAC Name 4-(4-chlorophenyl)sulfonylthiophene-3-carboxylic acid
InChI Key MSVUIONRVJKUIB-UHFFFAOYSA-N
Molecular Formula C11H7ClO4S2
12

4-[(4-chlorophenyl)sulfonyl]-3-methylthiophene-2-carboxylic acid, 97%, Thermo Scientific™

CAS: 175137-65-2 Molecular Formula: C12H9ClO4S2 Molecular Weight (g/mol): 316.77 MDL Number: MFCD00067886 InChI Key: WZQQSJVPCVCQKE-UHFFFAOYSA-N Synonym: 4-4-chlorophenyl sulfonyl-3-methylthiophene-2-carboxylic acid,4-4-chlorobenzenesulfonyl-3-methylthiophene-2-carboxylic acid,4-4-chloro-benzenesulfonyl-3-methyl-thiophene-2-carboxylic acid,maybridge1_004536,4-4-chlorophenylsulfonyl-3-methylthiophene-2-carboxylic acid,2-thiophenecarboxylicacid, 4-4-chlorophenyl sulfonyl-3-methyl,4-4-chlorobenzene-1-sulfonyl-3-methylthiophene-2-carboxylic acid,4-4-chlorophenyl sulfonyl-3-methyl-thiophene-2-carboxylic acid PubChem CID: 2778453 IUPAC Name: 4-(4-chlorophenyl)sulfonyl-3-methylthiophene-2-carboxylic acid SMILES: CC1=C(SC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)O

PubChem CID 2778453
CAS 175137-65-2
Molecular Weight (g/mol) 316.77
MDL Number MFCD00067886
SMILES CC1=C(SC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)O
Synonym 4-4-chlorophenyl sulfonyl-3-methylthiophene-2-carboxylic acid,4-4-chlorobenzenesulfonyl-3-methylthiophene-2-carboxylic acid,4-4-chloro-benzenesulfonyl-3-methyl-thiophene-2-carboxylic acid,maybridge1_004536,4-4-chlorophenylsulfonyl-3-methylthiophene-2-carboxylic acid,2-thiophenecarboxylicacid, 4-4-chlorophenyl sulfonyl-3-methyl,4-4-chlorobenzene-1-sulfonyl-3-methylthiophene-2-carboxylic acid,4-4-chlorophenyl sulfonyl-3-methyl-thiophene-2-carboxylic acid
IUPAC Name 4-(4-chlorophenyl)sulfonyl-3-methylthiophene-2-carboxylic acid
InChI Key WZQQSJVPCVCQKE-UHFFFAOYSA-N
Molecular Formula C12H9ClO4S2
13

4-(Methylsulfonyl)phenylacetic Acid, TRC

CAS: 90536-66-6 Molecular Formula: C9 H10 O4 S Molecular Weight (g/mol): 214.24 Synonym: Benzeneacetic acid, 4-(methylsulfonyl)-,Acetic acid, [p-(methylsulfonyl)phenyl]- (7CI),(4-Methanesulfonylphenyl)acetic acid,2-[4-(Methylsulfonyl)phenyl]acetic acid,4-(Methylsulfonyl)benzeneacetic acid,4-(Methylsulfonyl)phenylacetic acid,4-Mesylphenylacetic acid IUPAC Name: 2-(4-methylsulfonylphenyl)acetic acid SMILES: CS(=O)(=O)c1ccc(CC(=O)O)cc1

CAS 90536-66-6
Molecular Weight (g/mol) 214.24
SMILES CS(=O)(=O)c1ccc(CC(=O)O)cc1
Synonym Benzeneacetic acid, 4-(methylsulfonyl)-,Acetic acid, [p-(methylsulfonyl)phenyl]- (7CI),(4-Methanesulfonylphenyl)acetic acid,2-[4-(Methylsulfonyl)phenyl]acetic acid,4-(Methylsulfonyl)benzeneacetic acid,4-(Methylsulfonyl)phenylacetic acid,4-Mesylphenylacetic acid
IUPAC Name 2-(4-methylsulfonylphenyl)acetic acid
Molecular Formula C9 H10 O4 S
14

Fenticonazole Sulfone Nitric Acid Salt, TRC

CAS: 80676-29-5 Molecular Formula: C24 H20 Cl2 N2 O3 S . H N O3 Molecular Weight (g/mol): 550.41 Synonym: 1-[2-(2,4-Dichlorophenyl)-2-[[4-(phenylsulfonyl)phenyl]methoxy]ethyl]-1H-imidazole Nitrate,Fenticonazole Sulfone Nitrate,1-[(2RS)-2-(2,4-Dichlorophenyl)-2-[[4-(benzenesulfonyl)benzyl]oxy]ethyl]-1H-imidazole Nitrate,1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-[[4-(phenylsulfonyl)phenyl]methoxy]ethyl]-, nitrate (1:1),1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-[[4-(phenylsulfonyl)phenyl]methoxy]ethyl]-, mononitrate (9CI) IUPAC Name: 1-[2-[[4-(benzenesulfonyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid SMILES: O[N+](=O)[O-].Clc1ccc(C(Cn2ccnc2)OCc3ccc(cc3)S(=O)(=O)c4ccccc4)c(Cl)c1

CAS 80676-29-5
Molecular Weight (g/mol) 550.41
SMILES O[N+](=O)[O-].Clc1ccc(C(Cn2ccnc2)OCc3ccc(cc3)S(=O)(=O)c4ccccc4)c(Cl)c1
Synonym 1-[2-(2,4-Dichlorophenyl)-2-[[4-(phenylsulfonyl)phenyl]methoxy]ethyl]-1H-imidazole Nitrate,Fenticonazole Sulfone Nitrate,1-[(2RS)-2-(2,4-Dichlorophenyl)-2-[[4-(benzenesulfonyl)benzyl]oxy]ethyl]-1H-imidazole Nitrate,1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-[[4-(phenylsulfonyl)phenyl]methoxy]ethyl]-, nitrate (1:1),1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-[[4-(phenylsulfonyl)phenyl]methoxy]ethyl]-, mononitrate (9CI)
IUPAC Name 1-[2-[[4-(benzenesulfonyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
Molecular Formula C24 H20 Cl2 N2 O3 S . H N O3
15

4-Chloro-3-(chlorosulfonyl)benzoic Acid, TRC

CAS: 2494-79-3 Molecular Formula: C7H4Cl2O4S Molecular Weight (g/mol): 255.08 Synonym: 3-(Chlorosulfonyl)-4-chlorobenzoic Acid,3-Carboxy-6-chlorobenzenesulfonyl Chloride; IUPAC Name: 4-chloro-3-chlorosulfonylbenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)S(=O)(=O)Cl)Cl

CAS 2494-79-3
Molecular Weight (g/mol) 255.08
SMILES C1=CC(=C(C=C1C(=O)O)S(=O)(=O)Cl)Cl
Synonym 3-(Chlorosulfonyl)-4-chlorobenzoic Acid,3-Carboxy-6-chlorobenzenesulfonyl Chloride;
IUPAC Name 4-chloro-3-chlorosulfonylbenzoic acid
Molecular Formula C7H4Cl2O4S