4-Carboxybenzenesulfonamide

C₇H₇NO₄SCAS 138-41-0201.20 g/mol

Open in Covalent MOL file

Carboxylic acid Sulfonamide

Properties

Molecular formula: C₇H₇NO₄S
Molar mass: 201.20 g/mol
Exact mass: 201.0096 Da
Melting point: 290.5 °C (decomposes)
logP: 0.03Crippen estimate
Polar surface area: 97.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

138-41-0

SMILES

NS(=O)(=O)c1ccc(C(=O)O)cc1

InChIKey

UCAGLBKTLXCODC-UHFFFAOYSA-N

InChI

InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all

Benzoic acid, 4-(aminosulfonyl)-
Benzoic acid, p-sulfamoyl-
Benzoic acid, p-sulfamyl-
4-(Aminosulfonyl)benzoic acid
Benzoic acid p-sulfamide
p-Carboxybenzenesulfonamide
Carzenide
Dirnate
p-Sulfamoylbenzoic acid
p-Sulfamylbenzoic acid
p-Sulfonamidobenzoic acid
p-Aminobenzoic acid sulfamide
4-Sulfamoylbenzoic acid
NSC 22976
NSC 683540
p-Aminosulfonylbenzoic acid

Work with 4-Carboxybenzenesulfonamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Terephthalic acid100-21-058 % similar 4-(Chlorosulfonyl)benzoic acid10130-89-958 % similar 4-Acetylbenzenesulphonamide1565-17-958 % similar 4-(Methylsulfonyl)benzoic acid4052-30-658 % similar 2-Amino-5-(aminosulfonyl)benzoic acid137-65-557 % similar 4-Chloro-3-sulfamoylbenzoic acid1205-30-755 % similar 5-(Aminosulfonyl)-2-chlorobenzoic acid97-04-155 % similar Halazone80-13-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(Methylsulfonyl)-4-nitrobenzene2976-30-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook