아코스AU36-M212

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

HCID 22763CAS 6311-23-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1
InChIKey: ADALGBTXGIISDM-UHFFFAOYSA-N
분자식: C14H13NO4S
평균 분자량: 291.32 g/mol
단동위원소 질량: 291.0565289

이름 및 식별자

우선 이름: Benzoic acid, 2-(((4-methylphenyl)sulfonyl)amino)-
IUPAC: 2-[(4-methylphenyl)sulfonylamino]benzoic acid
현지명: 아코스AU36-M212
영어명: AKOS AU36-M212
분자식: C14H13NO4S
분자량: 291.32

이름 및 동의어

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

이름 더 보기

아코스AU36-M212ALINDA 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 91.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 20
형식 전하: 0
복잡도: 435

안전 및 규제

GHS 분류

GHS Classification · 4건

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.