N-{4-[(4-ethoxyphenyl)sulfamoyl]phenyl}acetamide

• ChemBase ID: 301780
• Molecular Formular: C16H18N2O4S
• Molecular Mass: 334.39012
• Monoisotopic Mass: 334.09872807
• SMILES: C(C)Oc1ccc(cc1)NS(=O)(=O)c1ccc(NC(=O)C)cc1
• Canonical SMILES: CCOc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C16H18N2O4S/c1-3-22-15-8-4-14(5-9-15)18-23(20,21)16-10-6-13(7-11-16)17-12(2)19/h4-11,18H,3H2,1-2H3,(H,17,19)
• InChIKey: UZJDFQZICYJVPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[(4-ethoxyphenyl)sulfamoyl]phenyl}acetamide
• IUPAC Traditional name: N-{4-[(4-ethoxyphenyl)sulfamoyl]phenyl}acetamide
• Synonyms: 4'-(4-Ethoxyphenylsulfamoyl)acetanilide

Database IDs

• MDL Number: MFCD00591578

CALCULATED PROPERTIES

• Acid pKa: 8.150013
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8968979
• LogD (pH = 7.4): 1.8353971
• Log P: 1.8977581
• Molar Refractivity: 88.965 cm^3
• Polarizability: 34.447502 Å^3
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 5
• 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%