N-(4-{[(3,4-dichlorophenyl)methyl]sulfamoyl}phenyl)acetamide

• ChemBase ID: 301670
• Molecular Formular: C15H14Cl2N2O3S
• Molecular Mass: 373.25426
• Monoisotopic Mass: 372.01021868
• SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)NCc1ccc(c(c1)Cl)Cl
• Canonical SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)NCc1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C15H14Cl2N2O3S/c1-10(20)19-12-3-5-13(6-4-12)23(21,22)18-9-11-2-7-14(16)15(17)8-11/h2-8,18H,9H2,1H3,(H,19,20)
• InChIKey: XTXPYQSGANMYBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-{[(3,4-dichlorophenyl)methyl]sulfamoyl}phenyl)acetamide
• IUPAC Traditional name: N-(4-{[(3,4-dichlorophenyl)methyl]sulfamoyl}phenyl)acetamide
• Synonyms: 4'-(3,4-Dichlorobenzylsulfamoyl)acetanilide

Database IDs

• MDL Number: MFCD03375709

CALCULATED PROPERTIES

• Acid pKa: 10.20899
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.973218
• LogD (pH = 7.4): 2.9726286
• Log P: 2.9732256
• Molar Refractivity: 92.1978 cm^3
• Polarizability: 35.76653 Å^3
• Polar Surface Area: 75.27 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%