Methyl 4-methanesulfonamidobenzoate

HCID 669159CAS 50790-28-8

基本情報

標準SMILES: COC(=O)c1ccc(NS(C)(=O)=O)cc1
InChIKey: QFDZXBAQIPTWSB-UHFFFAOYSA-N
分子式: C9H11NO4S
平均分子量: 229.26 g/mol

名称と識別子

優先名称: Methyl 4-methanesulfonamidobenzoate
IUPAC: methyl 4-(methanesulfonamido)benzoate
英語名: 4-Methylsulphonaminobenzoic acid methyl ester
分子式: C9H11NO4S
分子量: 229.25

名称と別名

methyl 4-methanesulfonamidobenzoate50790-28-8RefChem:816496830-831-1methyl 4-(methanesulfonamido)benzoatemethyl 4-[(methylsulfonyl)amino]benzoate4-METHYLSULPHONAMINOBENZOIC ACID METHYL ESTEROprea1_175617Oprea1_498916SCHEMBL638334-[(Methylsulfonyl)amino]benzoic acid methyl estermethyl4-methanesulfonamidobenzoate

名称をさらに表示

AURORA 2945methyl 4-(methylsulfonamido)benzoate4-mesyl-amino-benz-oic acid methyl ester4-Methanesulfonylamino-benzoic acid methyl esterBenzoic acid, 4-[(methylsulfonyl)amino]-, methyl ester

QFDZXBAQIPTWSB-UHFFFAOYSA-NHMS1609I07ACA79028MFCD00590400STK030880AKOS001613635SB77205BS-28675

データベース識別子

CAS: 50790-28-8
PubChem CID: 669159
EC Number: 830-831-1
Nikkaji: J1.711.925G

物性

構造計算による物性

XLogP: 1.2
極性表面積: 80.9 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 15
形式電荷: 0
複雑度: 311

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.