4-((2-Methoxyphenyl)sulfamoyl)benzoic acid

HCID 2333505

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 169945-27-1
標準SMILES: COc1ccccc1NS(=O)(=O)c1ccc(C(=O)O)cc1
InChIKey: HZJZEEWZSYAYKT-UHFFFAOYSA-N
分子式: C14H13NO5S
平均分子量: 307.32 g/mol
単同位体質量: 307.05144369

名称と識別子

優先名称: 4-((2-Methoxyphenyl)sulfamoyl)benzoic acid
IUPAC: 4-[(2-methoxyphenyl)sulfamoyl]benzoic acid

名称と別名

4-[(2-methoxyphenyl)sulfamoyl]benzoic Acid169945-27-14-((2-Methoxyphenyl)sulfamoyl)benzoic acidRefChem:509061101-484-74-(2-Methoxy-phenylsulfamoyl)-benzoic acidOprea1_579377SCHEMBL8711266HZJZEEWZSYAYKT-UHFFFAOYSA-NAKOS0001150384-[(2-methoxyphenyl)sulfamoyl]benzoicAcid4-[(2-Methoxyanilino)sulfonyl]benzoic acid

名称をさらに表示

CS-0218261EN300-00476G33821Z45630940

データベース識別子

CAS: 169945-27-1
PubChem CID: 2333505
EC Number: 101-484-7

物性

構造計算による物性

XLogP: 1.8
極性表面積: 101 Å²
水素結合供与体数: 2
水素結合受容体数: 6
回転可能結合数: 5
重原子数: 21
形式電荷: 0
複雑度: 450

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.