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

• ChemBase ID: 324042
• Molecular Formular: C14H18N4O2S
• Molecular Mass: 306.38332
• Monoisotopic Mass: 306.11504684
• SMILES: S(=O)(=O)(N1Cc2c(n[nH]c2CC1)c1ccccc1)N(C)C
• Canonical SMILES: CN(S(=O)(=O)N1CCc2c(C1)c(n[nH]2)c1ccccc1)C
• InChI: InChI=1S/C14H18N4O2S/c1-17(2)21(19,20)18-9-8-13-12(10-18)14(16-15-13)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,16)
• InChIKey: JAXHKMUCWQBUJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.056786
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6962281
• LogD (pH = 7.4): 0.69632006
• Log P: 0.6963213
• Molar Refractivity: 82.7901 cm^3
• Polarizability: 33.38988 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: 3
• H Donor: 1
• Log P: 1.11
• LOG S: -2.39
• Polar Surface Area: 69.3 Å^2
• Rotatable Bonds: 1