N-{4-[(5-chloro-2-methoxyphenyl)sulfamoyl]phenyl}acetamide

• ChemBase ID: 301685
• Molecular Formular: C15H15ClN2O4S
• Molecular Mass: 354.8086
• Monoisotopic Mass: 354.04410565
• SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1OC)Cl
• Canonical SMILES: COc1ccc(cc1NS(=O)(=O)c1ccc(cc1)NC(=O)C)Cl
• InChI: InChI=1S/C15H15ClN2O4S/c1-10(19)17-12-4-6-13(7-5-12)23(20,21)18-14-9-11(16)3-8-15(14)22-2/h3-9,18H,1-2H3,(H,17,19)
• InChIKey: JVUHNUSVIURRRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[(5-chloro-2-methoxyphenyl)sulfamoyl]phenyl}acetamide
• IUPAC Traditional name: N-{4-[(5-chloro-2-methoxyphenyl)sulfamoyl]phenyl}acetamide
• Synonyms: 4'-(5-Chloro-2-methoxyphenylsulfamoyl)acetanilide

Database IDs

• MDL Number: MFCD00026154

CALCULATED PROPERTIES

• Acid pKa: 7.0255404
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.1337092
• LogD (pH = 7.4): 1.7214037
• Log P: 2.144995
• Molar Refractivity: 89.0212 cm^3
• Polarizability: 34.52405 Å^3
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%