N-[3-(pyridin-4-yl)propyl]-4-sulfamoylbenzamide

• ChemBase ID: 748669
• Molecular Formular: C15H17N3O3S
• Molecular Mass: 319.37878
• Monoisotopic Mass: 319.09906242
• SMILES: S(=O)(=O)(c1ccc(C(=O)NCCCc2ccncc2)cc1)N
• Canonical SMILES: O=C(c1ccc(cc1)S(=O)(=O)N)NCCCc1ccncc1
• InChI: InChI=1S/C15H17N3O3S/c16-22(20,21)14-5-3-13(4-6-14)15(19)18-9-1-2-12-7-10-17-11-8-12/h3-8,10-11H,1-2,9H2,(H,18,19)(H2,16,20,21)
• InChIKey: RUBUBYJFXUDTKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(pyridin-4-yl)propyl]-4-sulfamoylbenzamide
• IUPAC Traditional name: N-[3-(pyridin-4-yl)propyl]-4-sulfamoylbenzamide
• Synonyms: 4-(aminosulfonyl)-N-(3-pyridin-4-ylpropyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.951083
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.77690953
• LogD (pH = 7.4): 0.8908001
• Log P: 0.89362353
• Molar Refractivity: 84.0027 cm^3
• Polarizability: 32.67793 Å^3
• Polar Surface Area: 102.15 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: 0.61
• LOG S: -0.75
• Polar Surface Area: 102.15 Å^2
• Rotatable Bonds: 6