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/de/chemical/85542

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

Identifikatoren & physikalische Daten

CAS No.	16673-34-0
Summenformel	C16H17ClN2O4S
Durchschnittliche Molmasse	368,8 g/mol
Monoisotopische Masse	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

Chemische & physikalische Eigenschaften

XLogP	2,4
Polarare Oberfläche (TPSA)	107
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	6
Schwere Atome	24
Formalladung	0
Komplexität	515
Schmelzpunkt	209-214 °C
Dichte	1.356±0.06 g/cm3(Predicted)
Lagerbedingungen	2-8°C
Löslichkeit	Soluble in DMSO (up to 45 mg/ml).
pKa (Säurekonstante)	10.14±0.10(Predicted)
Aggregatzustand	Solid
Farbe	White
Stabilität	Stable for 2 years from date of purchase as supplied. Solutions in DMSO may be stored at -20° for up to 3 months.
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
CAS Datenbank	16673-34-0(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	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.
Regulatorische Informationen	Status: Active Update: 09-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11547
Hazard Classes and Categories	Acute Tox. 4 (25%)
Wassergefährdungsklasse (WGK)	1
Zollcode	2935909550
R-Sätze (R)	23-24-25
Gefahrensymbole	T
Sicherheitshinweise (S)	24/25
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

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