N-[6-(propan-2-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indazol-3-yl]cyclopropanesulfonamide

• ChemBase ID: 536715
• Molecular Formular: C15H18F3N3O3S
• Molecular Mass: 377.3819296
• Monoisotopic Mass: 377.10209711
• SMILES: c1(nn(c2c1ccc(c2)OC(C)C)CC(F)(F)F)NS(=O)(=O)C1CC1
• Canonical SMILES: CC(Oc1ccc2c(c1)n(nc2NS(=O)(=O)C1CC1)CC(F)(F)F)C
• InChI: InChI=1S/C15H18F3N3O3S/c1-9(2)24-10-3-6-12-13(7-10)21(8-15(16,17)18)19-14(12)20-25(22,23)11-4-5-11/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,19,20)
• InChIKey: ULTLPDJCWXYFBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[6-(propan-2-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indazol-3-yl]cyclopropanesulfonamide
• IUPAC Traditional name: N-[6-isopropoxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]cyclopropanesulfonamide
• Synonyms: N-[6-isopropoxy-1-(2,2,2-trifluoroethyl)-1H-indazol-3-yl]cyclopropanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.208364
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.720844
• LogD (pH = 7.4): 2.3918648
• Log P: 2.7283313
• Molar Refractivity: 96.8253 cm^3
• Polarizability: 33.88839 Å^3
• Polar Surface Area: 73.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.48
• LOG S: -4.92
• Polar Surface Area: 73.22 Å^2
• Rotatable Bonds: 6