4-Chloro-3-sulfamoylbenzoic acid

C₇H₆ClNO₄SCAS 1205-30-7235.64 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Sulfonamide

Properties

Molecular formula: C₇H₆ClNO₄S
Molar mass: 235.64 g/mol
Exact mass: 234.9706 Da
Melting point: 260.5–262 °C
logP: 0.69Crippen estimate
Polar surface area: 97.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation93.2% of notifiers
H319 Causes serious eye irritation93.2% of notifiers
H335 May cause respiratory irritation91.5% of notifiers

Aggregated from 59 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

1205-30-7

SMILES

NS(=O)(=O)c1cc(C(=O)O)ccc1Cl

InChIKey

FHQAWINGVCDTTG-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClNO4S/c8-5-2-1-4(7(10)11)3-6(5)14(9,12)13/h1-3H,(H,10,11)(H2,9,12,13)

Weigh it out

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

Names and synonyms

7 names

Benzoic acid, 3-(aminosulfonyl)-4-chloro-
Benzoic acid, 4-chloro-3-sulfamoyl-
3-(Aminosulfonyl)-4-chlorobenzoic acid
4-Chloro-5-sulfamoylbenzoic acid
3-Sulfamyl-4-chlorobenzoic acid
3-Sulfamoyl-4-chlorobenzoic acid
4-Chloro-3-(aminosulfonyl)benzoic acid

Work with 4-Chloro-3-sulfamoylbenzoic acid

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

4-Chloro-3-(chlorosulphonyl)benzoic acid2494-79-367 % similar 3-(Aminosulfonyl)-4-chlorobenzoyl chloride70049-77-367 % similar 5-(Aminosulfonyl)-2,4-dichlorobenzoic acid2736-23-463 % similar 3,4-Dichlorobenzoic acid51-44-558 % similar 4-Chloro-5-sulfamoylsalicylic acid14556-98-058 % similar 4-Chloro-2-fluoro-5-sulfamoylbenzoic acid4793-22-057 % similar 3-Amino-4-chlorobenzoic acid2840-28-056 % similar 4-Carboxybenzenesulfonamide138-41-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl-5-nitrobenzenesulfonyl chloride121-02-8 4-Nitrobenzenemethanesulfonyl chloride4025-75-6 4-Methyl-3-nitrobenzenesulfonyl chloride616-83-1 5-(Aminosulfonyl)-2-chlorobenzoic acid97-04-1 1-Chloro-4-(methylsulfonyl)-2-nitrobenzene97-07-4

Elsewhere

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