2-(3-methoxyphenyl)-N,N-dimethyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-sulfonamide

• ChemBase ID: 672237
• Molecular Formular: C15H20N4O3S
• Molecular Mass: 336.4093
• Monoisotopic Mass: 336.12561152
• SMILES: S(=O)(=O)(N1Cc2nc([nH]c2CC1)c1cc(OC)ccc1)N(C)C
• Canonical SMILES: COc1cccc(c1)c1nc2c([nH]1)CCN(C2)S(=O)(=O)N(C)C
• InChI: InChI=1S/C15H20N4O3S/c1-18(2)23(20,21)19-8-7-13-14(10-19)17-15(16-13)11-5-4-6-12(9-11)22-3/h4-6,9H,7-8,10H2,1-3H3,(H,16,17)
• InChIKey: RFKLFGNDMNXKIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxyphenyl)-N,N-dimethyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-sulfonamide
• IUPAC Traditional name: 2-(3-methoxyphenyl)-N,N-dimethyl-1H,4H,6H,7H-imidazo[4,5-c]pyridine-5-sulfonamide
• Synonyms: 2-(3-methoxyphenyl)-N,N-dimethyl-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridine-5-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.665995
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.019655103
• LogD (pH = 7.4): 0.18571754
• Log P: 0.18916248
• Molar Refractivity: 98.3359 cm^3
• Polarizability: 35.249653 Å^3
• Polar Surface Area: 78.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.28
• LOG S: -3.2
• Polar Surface Area: 78.53 Å^2
• Rotatable Bonds: 2