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

• ChemBase ID: 783197
• Molecular Formular: C19H16N4O2S
• Molecular Mass: 364.42094
• Monoisotopic Mass: 364.09939677
• SMILES: n1(c(ncc1)c1ccc(S(=O)(=O)NC)cc1)c1c2ncccc2ccc1
• Canonical SMILES: CNS(=O)(=O)c1ccc(cc1)c1nccn1c1cccc2c1nccc2
• InChI: InChI=1S/C19H16N4O2S/c1-20-26(24,25)16-9-7-15(8-10-16)19-22-12-13-23(19)17-6-2-4-14-5-3-11-21-18(14)17/h2-13,20H,1H3
• InChIKey: BGYSSGYMWSHATK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.036582
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3800607
• LogD (pH = 7.4): 2.7395148
• Log P: 2.748542
• Molar Refractivity: 120.0839 cm^3
• Polarizability: 41.435997 Å^3
• Polar Surface Area: 76.88 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: 3.49
• LOG S: -4.84
• Polar Surface Area: 76.88 Å^2
• Rotatable Bonds: 3