quinolin-8-ylmethanesulfonamide

• ChemBase ID: 244384
• Molecular Formular: C10H10N2O2S
• Molecular Mass: 222.2636
• Monoisotopic Mass: 222.04629857
• SMILES: S(=O)(=O)(Cc1c2ncccc2ccc1)N
• Canonical SMILES: NS(=O)(=O)Cc1cccc2c1nccc2
• InChI: InChI=1S/C10H10N2O2S/c11-15(13,14)7-9-4-1-3-8-5-2-6-12-10(8)9/h1-6H,7H2,(H2,11,13,14)
• InChIKey: KRSUKFVWNHJITF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-8-ylmethanesulfonamide
• IUPAC Traditional name: quinolin-8-ylmethanesulfonamide
• Synonyms: quinolin-8-ylmethanesulfonamide

Database IDs

• MDL Number: MFCD11212982
• PubChem SID: 164300294
• PubChem CID: 43164318

CALCULATED PROPERTIES

• Acid pKa: 10.828735
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.48361304
• LogD (pH = 7.4): 0.49872568
• Log P: 0.4990675
• Molar Refractivity: 56.7246 cm^3
• Polarizability: 24.084362 Å^3
• Polar Surface Area: 73.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 154 - 156°C
• Hydrophobicity(logP): 0.161

Product Information

• Purity: 95%