N-benzyl[(1H-indazol-6-yl)amino]sulfonamide

• ChemBase ID: 669210
• Molecular Formular: C14H14N4O2S
• Molecular Mass: 302.35156
• Monoisotopic Mass: 302.08374671
• SMILES: S(=O)(=O)(Nc1cc2[nH]ncc2cc1)NCc1ccccc1
• Canonical SMILES: O=S(=O)(Nc1ccc2c(c1)[nH]nc2)NCc1ccccc1
• InChI: InChI=1S/C14H14N4O2S/c19-21(20,16-9-11-4-2-1-3-5-11)18-13-7-6-12-10-15-17-14(12)8-13/h1-8,10,16,18H,9H2,(H,15,17)
• InChIKey: GGMBHHZNZSGKFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl[(1H-indazol-6-yl)amino]sulfonamide
• IUPAC Traditional name: N-benzyl(1H-indazol-6-ylamino)sulfonamide
• Synonyms: N-benzyl-N'-1H-indazol-6-ylsulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.110065
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.1615063
• LogD (pH = 7.4): 1.1607919
• Log P: 1.1615417
• Molar Refractivity: 81.0403 cm^3
• Polarizability: 32.895023 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: 2.0
• LOG S: -3.11
• Polar Surface Area: 86.88 Å^2
• Rotatable Bonds: 3