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

HCID 2333505CAS 169945-27-1

기본 정보

표준 SMILES: COc1ccccc1NS(=O)(=O)c1ccc(C(=O)O)cc1
InChIKey: HZJZEEWZSYAYKT-UHFFFAOYSA-N
분자식: C14H13NO5S
평균 분자량: 307.32 g/mol
단동위원소 질량: 307.05144369

이름 및 식별자

우선 이름: 4-((2-Methoxyphenyl)sulfamoyl)benzoic acid
IUPAC: 4-[(2-methoxyphenyl)sulfamoyl]benzoic acid

이름 및 동의어

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

이름 더 보기

CS-0218261EN300-00476G33821Z45630940

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 101 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 5
무거운 원자 수: 21
형식 전하: 0
복잡도: 450

안전 및 규제

GHS 분류

GHS Classification · 5건

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.