2-(甲苯-4-磺酰基氨基)-苯甲酸

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

HCID 22763CAS 6311-23-5

子结构检索查找相似结构

基本信息

标准SMILES: Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1
InChIKey: ADALGBTXGIISDM-UHFFFAOYSA-N
分子式: C14H13NO4S
平均分子量: 291.32 g/mol
单同位素质量: 291.0565289

名称与标识

首选名称: Benzoic acid, 2-(((4-methylphenyl)sulfonyl)amino)-
IUPAC: 2-[(4-methylphenyl)sulfonylamino]benzoic acid
中文名: 2-(甲苯-4-磺酰基氨基)-苯甲酸
英文名: AKOS AU36-M212
分子式: C14H13NO4S
分子量: 291.32

名称与别名

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

展开更多名称

2-(4-甲基苯磺酰氨基)苯甲酸2-(甲苯-4-磺酰基氨基)-苯甲酸2-[(4-甲基苯基)磺酰基氨基]苯甲酸2-{[(4-甲基苯基)磺酰基]氨基}苯甲酸2-(((4-甲基苯基)磺酰基)氨基)苯甲酸苯甲酸,2-(((4-甲基苯基)磺酰基)氨基)-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

数据库标识

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

性质

结构计算性质

XLogP: 2.9
极性表面积: 91.9 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 4
重原子: 20
形式电荷: 0
复杂度: 435

安全与法规

GHS分类

GHS Classification · 4 条

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.