N-[3-(1H-indazol-1-yl)propyl]-4-sulfamoylbenzamide

• ChemBase ID: 392879
• Molecular Formular: C17H18N4O3S
• Molecular Mass: 358.41482
• Monoisotopic Mass: 358.10996146
• SMILES: S(=O)(=O)(c1ccc(C(=O)NCCCn2ncc3c2cccc3)cc1)N
• Canonical SMILES: O=C(c1ccc(cc1)S(=O)(=O)N)NCCCn1ncc2c1cccc2
• InChI: InChI=1S/C17H18N4O3S/c18-25(23,24)15-8-6-13(7-9-15)17(22)19-10-3-11-21-16-5-2-1-4-14(16)12-20-21/h1-2,4-9,12H,3,10-11H2,(H,19,22)(H2,18,23,24)
• InChIKey: IPYFGWZHPPCYMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1H-indazol-1-yl)propyl]-4-sulfamoylbenzamide
• IUPAC Traditional name: N-[3-(indazol-1-yl)propyl]-4-sulfamoylbenzamide
• Synonyms: 4-(aminosulfonyl)-N-[3-(1H-indazol-1-yl)propyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.951064
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.9619841
• LogD (pH = 7.4): 0.96093124
• Log P: 0.9620115
• Molar Refractivity: 106.3765 cm^3
• Polarizability: 37.863075 Å^3
• Polar Surface Area: 107.08 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.62
• LOG S: -3.2
• Polar Surface Area: 107.08 Å^2
• Rotatable Bonds: 6