4-[2-(quinolin-8-yl)-1H-imidazol-1-yl]benzene-1-sulfonamide

• ChemBase ID: 630302
• Molecular Formular: C18H14N4O2S
• Molecular Mass: 350.39436
• Monoisotopic Mass: 350.08374671
• SMILES: c1(n(c2ccc(S(=O)(=O)N)cc2)ccn1)c1c2ncccc2ccc1
• Canonical SMILES: NS(=O)(=O)c1ccc(cc1)n1ccnc1c1cccc2c1nccc2
• InChI: InChI=1S/C18H14N4O2S/c19-25(23,24)15-8-6-14(7-9-15)22-12-11-21-18(22)16-5-1-3-13-4-2-10-20-17(13)16/h1-12H,(H2,19,23,24)
• InChIKey: ZYFZCSSZPJYLLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(quinolin-8-yl)-1H-imidazol-1-yl]benzene-1-sulfonamide
• IUPAC Traditional name: 4-[2-(quinolin-8-yl)imidazol-1-yl]benzenesulfonamide
• Synonyms: 4-(2-quinolin-8-yl-1H-imidazol-1-yl)benzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.797996
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.244098
• LogD (pH = 7.4): 2.5193498
• Log P: 2.5248659
• Molar Refractivity: 115.1872 cm^3
• Polarizability: 39.595016 Å^3
• Polar Surface Area: 90.87 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.63
• LOG S: -3.15
• Polar Surface Area: 90.87 Å^2
• Rotatable Bonds: 3