4-Fluorobenzenesulfonamide

HCID 120231CAS 402-46-0

部分構造検索類似構造を探す

基本情報

標準SMILES: NS(=O)(=O)c1ccc(F)cc1
InChIKey: LFLSATHZMYYIAQ-UHFFFAOYSA-N
分子式: C6H6FNO2S
平均分子量: 175.18 g/mol
単同位体質量: 175.01032765

概要

structure given in first source

名称と識別子

優先名称: 4-Fluorobenzenesulfonamide
IUPAC: 4-fluorobenzenesulfonamide

名称と別名

4-Fluorobenzenesulfonamide402-46-0p-Fluorobenzenesulfonamide4-fluorobenzene-1-sulfonamide4-FLOUROBENZENESULFONAMIDEUWB1PR3UR6DTXSID70193195RefChem:5233874-FBSADTXCID80115686206-946-2Benzenesulfonamide, 4-fluoro-

名称をさらに表示

4-fluorobenzenesulphonamideMFCD00025384Benzenesulfonamide, p-fluoro-4-fluorobenzene sulfonamideCambridge id 5135296SCHEMBL283919AKOS000122248DB01784

データベース識別子

CAS: 402-46-0
PubChem CID: 120231
DTXSID: DTXSID70193195
ChEMBL: CHEMBL1232673
UNII: UWB1PR3UR6
EC Number: 206-946-2
Nikkaji: J41.367D

物性

構造計算による物性

XLogP: 0.8
極性表面積: 68.5 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 213

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (90.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.