N-benzyl[(4,5,6,7-tetrahydro-1H-indazol-5-yl)amino]sulfonamide

• ChemBase ID: 683768
• Molecular Formular: C14H18N4O2S
• Molecular Mass: 306.38332
• Monoisotopic Mass: 306.11504684
• SMILES: S(=O)(=O)(NC1Cc2c([nH]nc2)CC1)NCc1ccccc1
• Canonical SMILES: O=S(=O)(NC1CCc2c(C1)cn[nH]2)NCc1ccccc1
• InChI: InChI=1S/C14H18N4O2S/c19-21(20,16-9-11-4-2-1-3-5-11)18-13-6-7-14-12(8-13)10-15-17-14/h1-5,10,13,16,18H,6-9H2,(H,15,17)
• InChIKey: PNKYIVHVVNYFHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl[(4,5,6,7-tetrahydro-1H-indazol-5-yl)amino]sulfonamide
• IUPAC Traditional name: N-benzyl(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)sulfonamide
• Synonyms: N-benzyl-N'-(4,5,6,7-tetrahydro-1H-indazol-5-yl)sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.639831
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.80604017
• LogD (pH = 7.4): 0.8059346
• Log P: 0.8061575
• Molar Refractivity: 81.9149 cm^3
• Polarizability: 32.053047 Å^3
• Polar Surface Area: 86.88 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.57
• LOG S: -2.77
• Polar Surface Area: 86.88 Å^2
• Rotatable Bonds: 3