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

• ChemBase ID: 231573
• Molecular Formular: C15H16N2O4S
• Molecular Mass: 320.36354
• Monoisotopic Mass: 320.083078
• SMILES: S(=O)(=O)(N(c1ccc(cc1)O)C)c1ccc(NC(=O)C)cc1
• Canonical SMILES: CN(S(=O)(=O)c1ccc(cc1)NC(=O)C)c1ccc(cc1)O
• InChI: InChI=1S/C15H16N2O4S/c1-11(18)16-12-3-9-15(10-4-12)22(20,21)17(2)13-5-7-14(19)8-6-13/h3-10,19H,1-2H3,(H,16,18)
• InChIKey: QNUMCSUIAGXGGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[(4-hydroxyphenyl)(methyl)sulfamoyl]phenyl}acetamide
• IUPAC Traditional name: N-{4-[(4-hydroxyphenyl)(methyl)sulfamoyl]phenyl}acetamide
• Synonyms: N-{4-[(4-Hydroxy-phenyl)-methyl-sulfamoyl]-phenyl}-acetamide

Database IDs

• MDL Number: MFCD00584545
• PubChem SID: 164287483
• PubChem CID: 2998367

CALCULATED PROPERTIES

• Acid pKa: 9.50089
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6186891
• LogD (pH = 7.4): 1.6153219
• Log P: 1.6187322
• Molar Refractivity: 84.6308 cm^3
• Polarizability: 32.542206 Å^3
• Polar Surface Area: 86.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.608

Product Information

• Purity: 95%