N-[2-(4-sulfamoylphenyl)ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

• ChemBase ID: 384441
• Molecular Formular: C18H24N4O3S
• Molecular Mass: 376.47316
• Monoisotopic Mass: 376.15691165
• SMILES: S(=O)(=O)(c1ccc(cc1)CCNC(=O)CCc1n[nH]c2c1CCCC2)N
• Canonical SMILES: O=C(CCc1n[nH]c2c1CCCC2)NCCc1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C18H24N4O3S/c19-26(24,25)14-7-5-13(6-8-14)11-12-20-18(23)10-9-17-15-3-1-2-4-16(15)21-22-17/h5-8H,1-4,9-12H2,(H,20,23)(H,21,22)(H2,19,24,25)
• InChIKey: BLEGFPSPRGRABU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-sulfamoylphenyl)ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
• IUPAC Traditional name: N-[2-(4-sulfamoylphenyl)ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
• Synonyms: N-{2-[4-(aminosulfonyl)phenyl]ethyl}-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.223804
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.4857076
• LogD (pH = 7.4): 1.4853299
• Log P: 1.4859091
• Molar Refractivity: 100.9883 cm^3
• Polarizability: 38.928467 Å^3
• Polar Surface Area: 117.94 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.14
• LOG S: -2.92
• Polar Surface Area: 117.94 Å^2
• Rotatable Bonds: 7