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

• ChemBase ID: 774330
• Molecular Formular: C14H17FN4O2S
• Molecular Mass: 324.3737832
• Monoisotopic Mass: 324.10562502
• SMILES: S(=O)(=O)(N1Cc2c(n[nH]c2CC1)c1cc(F)ccc1)N(C)C
• Canonical SMILES: Fc1cccc(c1)c1n[nH]c2c1CN(CC2)S(=O)(=O)N(C)C
• InChI: InChI=1S/C14H17FN4O2S/c1-18(2)22(20,21)19-7-6-13-12(9-19)14(17-16-13)10-4-3-5-11(15)8-10/h3-5,8H,6-7,9H2,1-2H3,(H,16,17)
• InChIKey: ILZJAOFLNUZEFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.998028
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.83894396
• LogD (pH = 7.4): 0.83902216
• Log P: 0.83902323
• Molar Refractivity: 83.0065 cm^3
• Polarizability: 33.072506 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: 1.3
• LOG S: -4.48
• Polar Surface Area: 69.3 Å^2
• Rotatable Bonds: 1