Benzoic acid, 2-(((4-methylphenyl)sulfonyl)amino)-

HCID 22763CAS 6311-23-5

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1
InChIKey: ADALGBTXGIISDM-UHFFFAOYSA-N
Molecular formula: C14H13NO4S
Average molar mass: 291.32 g/mol
Monoisotopic mass: 291.0565289

Names & identifiers

Preferred name: Benzoic acid, 2-(((4-methylphenyl)sulfonyl)amino)-
IUPAC: 2-[(4-methylphenyl)sulfonylamino]benzoic acid
English name: AKOS AU36-M212
Molecular formula: C14H13NO4S
Molecular weight: 291.32

Names & synonyms

2-(4-methylbenzenesulfonamido)benzoic acid2-{[(4-methylphenyl)sulfonyl]amino}benzoic acid2-(((4-Methylphenyl)sulfonyl)amino)benzoic acidBENZOIC ACID, 2-(((4-METHYLPHENYL)SULFONYL)AMINO)-BRN 2221158DTXSID802124473-14-00-00950 (Beilstein Handbook Reference)NSC 43530Benzoic acid, 2-[[(4-methylphenyl)sulfonyl]amino]-2-[[(4-Methylphenyl)sulfonyl]amino]benzoic acidRefChem:565323DTXCID80134938

Show more names

ALINDA 103015AKOS BBV-010080OTAVA-BB 1056747RARECHEM AL CB 0779LABOTEST-BB LT000003572-(tosylamino)benzoic acidN-(P-TOSYL)ANTHRANILIC ACID2-(p-Tolylsulfonylamino)-benzoic acid

684-751-56311-23-52-(Toluene-4-sulfonylamino)-benzoic acid2-(4-methylphenylsulfonamido)benzoic acid2-[(4-methylbenzene)sulfonamido]benzoic acid2-[(4-methylphenyl)sulfonylamino]benzoic acidAKOS AU36-M212MFCD00045803

Database identifiers

CAS: 6311-23-5
PubChem CID: 22763
DTXSID: DTXSID80212447
ChEMBL: CHEMBL34534
EC Number: 684-751-5
Nikkaji: J1.394.447D

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 91.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 435

Physicochemical properties

EWG's Food Scores: 1 · 1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Hazard Codes: Xi
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H302-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501