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

• ChemBase ID: 301762
• Molecular Formular: C15H16N2O4S
• Molecular Mass: 320.36354
• Monoisotopic Mass: 320.083078
• SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CO
• Canonical SMILES: OCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C15H16N2O4S/c1-11(19)16-13-6-8-15(9-7-13)22(20,21)17-14-4-2-12(10-18)3-5-14/h2-9,17-18H,10H2,1H3,(H,16,19)
• InChIKey: YTOQORXPKZITDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00026155

CALCULATED PROPERTIES

• Acid pKa: 7.9400606
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.9298777
• LogD (pH = 7.4): 0.8352853
• Log P: 0.9312717
• Molar Refractivity: 84.5691 cm^3
• Polarizability: 32.55303 Å^3
• Polar Surface Area: 95.5 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%