2-Chloro-5-[(propan-2-yl)sulfamoyl]benzoic acid

HCID 977914

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基本情報

CAS: 74138-28-6
標準SMILES: CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIKey: SEYHVXLJZBTBCF-UHFFFAOYSA-N
分子式: C10H12ClNO4S
平均分子量: 277.73 g/mol
単同位体質量: 277.01755654

名称と識別子

優先名称: 2-Chloro-5-[(propan-2-yl)sulfamoyl]benzoic acid
IUPAC: 2-chloro-5-(propan-2-ylsulfamoyl)benzoic acid
英語名: 2-Chloro-5-[(isopropylamino)sulfonyl]benzoic acid
分子式: C10H12ClNO4S
分子量: 277.72

名称と別名

2-chloro-5-[(propan-2-yl)sulfamoyl]benzoic acid2-chloro-5-((propan-2-yl)sulfamoyl)benzoic acidRefChem:469149999-840-774138-28-62-chloro-5-[(isopropylamino)sulfonyl]benzoic acid2-chloro-5-(propan-2-ylsulfamoyl)benzoic AcidBenzoic acid,2-chloro-5-[[(1-methylethyl)amino]sulfonyl]-SCHEMBL3923738DTXSID40359645SEYHVXLJZBTBCF-UHFFFAOYSA-NZCA13828

名称をさらに表示

2-chloro-5-[[(1-methylethyl)amino]sulfonyl]benzoic acidBenzoic acid, 2-chloro-5-[[(1-methylethyl)amino]sulfonyl]-

AKOS001045292DA-264812-Chloro-5-isopropylsulfamoyl-benzoic acidCS-02307952-Chloro-5-(N-isopropylsulfamoyl)benzoicacidEN300-105642-chloro-5-(N-isopropylsulfamoyl)-benzoic acid2-Chloro-5-(N-isopropylsulfamoyl)benzoic acid

データベース識別子

CAS: 74138-28-6
PubChem CID: 977914
DTXSID: DTXSID40359645
EC Number: 999-840-7

物性

構造計算による物性

XLogP: 2
極性表面積: 91.9 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 17
形式電荷: 0
複雑度: 376

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.