N-(2-acetylphenyl)-4-methylbenzene-1-sulfonamide

• ChemBase ID: 274913
• Molecular Formular: C15H15NO3S
• Molecular Mass: 289.3495
• Monoisotopic Mass: 289.07726435
• SMILES: S(=O)(=O)(Nc1c(C(=O)C)cccc1)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)C
• InChI: InChI=1S/C15H15NO3S/c1-11-7-9-13(10-8-11)20(18,19)16-15-6-4-3-5-14(15)12(2)17/h3-10,16H,1-2H3
• InChIKey: BESFPNZPXZYZHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-acetylphenyl)-4-methylbenzene-1-sulfonamide
• IUPAC Traditional name: N-(2-acetylphenyl)-4-methylbenzenesulfonamide
• Synonyms: N-(2-acetylphenyl)-4-methylbenzene-1-sulfonamide

Database IDs

• MDL Number: MFCD00424939
• PubChem SID: 164330823
• PubChem CID: 3451343

CALCULATED PROPERTIES

• Molar Refractivity: 78.3342 cm^3
• Polarizability: 30.688484 Å^3
• Polar Surface Area: 63.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 7.3876553
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5270321
• LogD (pH = 7.4): 2.2729144
• Log P: 2.53198

PROPERTIES

Physical Property

• Melting Point: 148 - 150°C
• Hydrophobicity(logP): 3.305

Product Information

• Purity: 95%