N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)-3-sulfamoylthiophene-2-carboxamide

• ChemBase ID: 500745
• Molecular Formular: C14H13N3O4S2
• Molecular Mass: 351.40072
• Monoisotopic Mass: 351.03474791
• SMILES: c1(c(C(=O)NC2CC(=O)Nc3c2cccc3)scc1)S(=O)(=O)N
• Canonical SMILES: O=C1CC(NC(=O)c2sccc2S(=O)(=O)N)c2c(N1)cccc2
• InChI: InChI=1S/C14H13N3O4S2/c15-23(20,21)11-5-6-22-13(11)14(19)17-10-7-12(18)16-9-4-2-1-3-8(9)10/h1-6,10H,7H2,(H,16,18)(H,17,19)(H2,15,20,21)
• InChIKey: CQGRGZPGHAUKAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)-3-sulfamoylthiophene-2-carboxamide
• IUPAC Traditional name: N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-3-sulfamoylthiophene-2-carboxamide
• Synonyms: 3-(aminosulfonyl)-N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)thiophene-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.995742
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.52664375
• LogD (pH = 7.4): 0.5171418
• Log P: 0.52676666
• Molar Refractivity: 86.367 cm^3
• Polarizability: 32.863205 Å^3
• Polar Surface Area: 118.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.49
• LOG S: -2.65
• Polar Surface Area: 118.36 Å^2
• Rotatable Bonds: 3