5-chloro-2-methoxy-N-(2-(4-sulfamoylphenyl)ethyl)benzamide

5-Chloro-2-Methoxy-N-(4-sulfaMoylphenethyl)benzaMide · 5-CHLORO-2-METHOXY-N-[2-(4-SULFAMOYLPHENYL)ETHYL]BENZAMIDE · NLRP3i · NLRP3-IN-2 · Einecs 240-722-5 · 16673-34-0 NLRP3i · Glyburide USP RC A · Glibenclamide Impurity 7

https://huagongshe.com/ko/chemical/85542

5-chloro-2-methoxy-N-(2-(4-sulfamoylphenyl)ethyl)benzamide 분자 구조식

식별자 및 물리적 특성

CAS No.	16673-34-0
분자식	C16H17ClN2O4S
평균 분자량	368.8 g/mol
단동위원소 질량	368.0597557 g/mol
SMILES	COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIKey	KVWWTCSJLGHLRM-UHFFFAOYSA-N
PubChem CID	85542
ChEMBL	CHEMBL3188223
EC No.	240-722-5
DTXSID	DTXSID1057660

화학 및 물리적 성질

XLogP	2.4
극성 표면적	107
수소 결합 공여자 수	2
수소 결합 수용자 수	5
회전 가능 결합 수	6
무거운 원자 수	24
형식 전하	0
복잡도	515
녹는점	209-214 °C
밀도	1.356±0.06 g/cm3(Predicted)
저장 조건	2-8°C
용해도	DMSO에 용해됩니다(최대 45mg/ml).
pKa(산도 계수)	10.14±0.10(Predicted)
물리적 상태	Solid
색상	하얀색
안정성	최대 3개월 동안 -20°의 DMSO에 보관
InChI	InChI=1S/C16H17ClN2O4S/c1-23-15-7-4-12(17)10-14(15)16(20)19-9-8-11-2-5-13(6-3-11)24(18,21)22/h2-7,10H,8-9H2,1H3,(H,19,20)(H2,18,21,22)
InChIKey	KVWWTCSJLGHLRM-UHFFFAOYSA-N
SMILES	C(NCCC1=CC=C(S(N)(=O)=O)C=C1)(=O)C1=CC(Cl)=CC=C1OC

화학적 성질

Light Yellow Solid

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 62.5% (5 of 8) of all reports.WarningH302 (25%): 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)Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Status: Active Update: 09-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11547
Hazard Classes and Categories	Acute Tox. 4 (25%)
수질 위해 등급(WGK)	1
관세 코드	2935909550
위험 문구(R)	23-24-25
위험 표시	T
안전 문구(S)	24/25
저장 분류	11 - Combustible Solids

용도

An impurity arising in the synthesis of Glyburide (G598350).

일반 설명

5-Chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is an organic building block. It has been reported as an intermediate in the synthesis of glyburide. Synthesis of 5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has been reported.