4-methylquinoline-8-sulfonamide

• ChemBase ID: 275981
• Molecular Formular: C10H10N2O2S
• Molecular Mass: 222.2636
• Monoisotopic Mass: 222.04629857
• SMILES: S(=O)(=O)(c1c2c(c(ccn2)C)ccc1)N
• Canonical SMILES: Cc1ccnc2c1cccc2S(=O)(=O)N
• InChI: InChI=1S/C10H10N2O2S/c1-7-5-6-12-10-8(7)3-2-4-9(10)15(11,13)14/h2-6H,1H3,(H2,11,13,14)
• InChIKey: ZAFJGWOBSVYACM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylquinoline-8-sulfonamide
• IUPAC Traditional name: 4-methylquinoline-8-sulfonamide
• Synonyms: 4-methylquinoline-8-sulfonamide

Database IDs

• MDL Number: MFCD19381993
• PubChem SID: 164331891
• PubChem CID: 54593944

CALCULATED PROPERTIES

• Acid pKa: 9.572783
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2502899
• LogD (pH = 7.4): 1.2477771
• Log P: 1.2503526
• Molar Refractivity: 57.1784 cm^3
• Polarizability: 23.98039 Å^3
• Polar Surface Area: 73.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.364

Product Information

• Purity: 95%