N-(quinolin-8-yl)benzenesulfonamide

• ChemBase ID: 251081
• Molecular Formular: C15H12N2O2S
• Molecular Mass: 284.33298
• Monoisotopic Mass: 284.06194863
• SMILES: S(=O)(=O)(Nc1c2ncccc2ccc1)c1ccccc1
• Canonical SMILES: O=S(=O)(c1ccccc1)Nc1cccc2c1nccc2
• InChI: InChI=1S/C15H12N2O2S/c18-20(19,13-8-2-1-3-9-13)17-14-10-4-6-12-7-5-11-16-15(12)14/h1-11,17H
• InChIKey: FEBBZFJWAMUFPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(quinolin-8-yl)benzenesulfonamide
• IUPAC Traditional name: N-(quinolin-8-yl)benzenesulfonamide
• Synonyms: N-(quinolin-8-yl)benzenesulfonamide

Database IDs

• MDL Number: MFCD00168981
• PubChem SID: 164306991
• PubChem CID: 161167

CALCULATED PROPERTIES

• Acid pKa: 7.005704
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5990334
• LogD (pH = 7.4): 2.1839008
• Log P: 2.6185658
• Molar Refractivity: 76.8115 cm^3
• Polarizability: 31.810207 Å^3
• Polar Surface Area: 59.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.939

Product Information

• Purity: 95%