5-(Aminosulfonyl)-2,4-dichlorobenzoic acid

C₇H₅Cl₂NO₄SCAS 2736-23-4270.08 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Sulfonamide

Properties

Molecular formula: C₇H₅Cl₂NO₄S
Molar mass: 270.08 g/mol
Exact mass: 268.9316 Da
Melting point: 233–235 °C
logP: 1.34Crippen estimate
Polar surface area: 97.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage21.2% of notifiers
H319 Causes serious eye irritation76.9% of notifiers
H335 May cause respiratory irritation98.1% of notifiers

Aggregated from 52 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2736-23-4

SMILES

NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl

InChIKey

ZSHHRBYVHTVRFK-UHFFFAOYSA-N

InChI

InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)

Weigh it out

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

Names and synonyms

6 names

Benzoic acid, 5-(aminosulfonyl)-2,4-dichloro-
Benzoic acid, 2,4-dichloro-5-sulfamoyl-
2,4-Dichloro-5-sulfamoylbenzoic acid
3-Sulfamoyl-4,6-dichlorobenzoic acid
5-Carboxy-2,4-dichlorobenzenesulfonamide
5-Aminosulfonyl-2,4-dichlorobenzoic acid

Work with 5-(Aminosulfonyl)-2,4-dichlorobenzoic 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-5-sulfamoylsalicylic acid14556-98-076 % similar 4-Chloro-2-fluoro-5-sulfamoylbenzoic acid4793-22-074 % similar 4-Chloro-3-sulfamoylbenzoic acid1205-30-763 % similar 5-(Aminosulfonyl)-2-chlorobenzoic acid97-04-163 % similar Fusid54-31-958 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-158 % similar 2,4-Dichloro-5-fluorobenzoic acid86522-89-651 % similar 4-Chloro-5-(chlorosulfonyl)-2-fluorobenzoic acid56447-54-249 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Halazone80-13-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook