3-(4-chlorophenyl)-N,N-dimethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-sulfonamide

• ChemBase ID: 817098
• Molecular Formular: C14H17ClN4O2S
• Molecular Mass: 340.82838
• Monoisotopic Mass: 340.07607448
• SMILES: S(=O)(=O)(N1Cc2c(n[nH]c2CC1)c1ccc(cc1)Cl)N(C)C
• Canonical SMILES: Clc1ccc(cc1)c1n[nH]c2c1CN(CC2)S(=O)(=O)N(C)C
• InChI: InChI=1S/C14H17ClN4O2S/c1-18(2)22(20,21)19-8-7-13-12(9-19)14(17-16-13)10-3-5-11(15)6-4-10/h3-6H,7-9H2,1-2H3,(H,16,17)
• InChIKey: IWNORGHFABRQQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.054734
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3002733
• LogD (pH = 7.4): 1.3003647
• Log P: 1.3003659
• Molar Refractivity: 87.5949 cm^3
• Polarizability: 35.270046 Å^3
• Polar Surface Area: 69.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.87
• LOG S: -4.85
• Polar Surface Area: 69.3 Å^2
• Rotatable Bonds: 1