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

• ChemBase ID: 148305
• Molecular Formular: C16H17ClN2O4S
• Molecular Mass: 368.83518
• Monoisotopic Mass: 368.05975571
• SMILES: COc1ccc(cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)N)Cl
• Canonical SMILES: COc1ccc(cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)N)Cl
• 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
• IUPAC Traditional name: 5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
• Synonyms: 5-Chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide; 5-Chloro-2-methoxy-N-(4-sulfamoylphenethyl)benzamide; N-[2-[4-(Aminosulfonyl)phenyl]ethyl]-5-chloro-2-methoxy-benzamide; 5-Chloro-N-(p-sulfamoylphenethyl)-o-anisamide; 4-[2-(2-Methoxy-5-chlorobenzene-1-carboxamido)ethyl]benzenesulfonamide; 4-[2-(5-Chloro-2-methoxybenzamido)ethyl]benzene Sulfonamide; 4-[2-(5-氯-2-甲氧基苯甲酰氨基)乙基]苯磺酰胺

Database IDs

• CAS Number: 16673-34-0
• EC Number: 240-722-5
• MDL Number: MFCD00193756
• PubChem SID: 24870067; 162242481
• PubChem CID: 85542

CALCULATED PROPERTIES

• Acid pKa: 10.223674
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.1130934
• LogD (pH = 7.4): 2.1125238
• Log P: 2.1131008
• Molar Refractivity: 92.8266 cm^3
• Polarizability: 36.163483 Å^3
• Polar Surface Area: 98.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Light Yellow Solid
• Melting Point: 209-214 °C(lit.); 214-215°C

Safety Information

• Storage Condition: Refrigerator
• German water hazard class: 1

Product Information

• Purity: 95%; 95+%
• Linear Formula: ClC6H3(OCH3)CONHCH2C6H4SO2NH2

DETAILS

Sigma Aldrich - 463442

Packaging
5 g in glass bottle

Toronto Research Chemicals - C367895

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