[(6,6-dimethyl-1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)sulfamoyl]dimethylamine

• ChemBase ID: 739429
• Molecular Formular: C17H24N4O2S
• Molecular Mass: 348.46306
• Monoisotopic Mass: 348.16199703
• SMILES: c12c(n(nc2)c2ccccc2)CC(CC1NS(=O)(=O)N(C)C)(C)C
• Canonical SMILES: CN(S(=O)(=O)NC1CC(C)(C)Cc2c1cnn2c1ccccc1)C
• InChI: InChI=1S/C17H24N4O2S/c1-17(2)10-15(19-24(22,23)20(3)4)14-12-18-21(16(14)11-17)13-8-6-5-7-9-13/h5-9,12,15,19H,10-11H2,1-4H3
• InChIKey: FOIADPKQTFXRCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(6,6-dimethyl-1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)sulfamoyl]dimethylamine
• IUPAC Traditional name: [(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)sulfamoyl]dimethylamine
• Synonyms: N'-(6,6-dimethyl-1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)-N,N-dimethylsulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.505141
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8298886
• LogD (pH = 7.4): 1.8296658
• Log P: 1.8299687
• Molar Refractivity: 95.743 cm^3
• Polarizability: 38.159462 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.56
• LOG S: -3.93
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 2