N-cyclopentyl-3-{[2-(pyridin-2-yl)ethyl]sulfamoyl}benzamide

• ChemBase ID: 441459
• Molecular Formular: C19H23N3O3S
• Molecular Mass: 373.46922
• Monoisotopic Mass: 373.14601261
• SMILES: S(=O)(=O)(c1cc(C(=O)NC2CCCC2)ccc1)NCCc1ncccc1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)NCCc1ccccn1)NC1CCCC1
• InChI: InChI=1S/C19H23N3O3S/c23-19(22-17-8-1-2-9-17)15-6-5-10-18(14-15)26(24,25)21-13-11-16-7-3-4-12-20-16/h3-7,10,12,14,17,21H,1-2,8-9,11,13H2,(H,22,23)
• InChIKey: HESOJOQHLHEERH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-3-{[2-(pyridin-2-yl)ethyl]sulfamoyl}benzamide
• IUPAC Traditional name: N-cyclopentyl-3-{[2-(pyridin-2-yl)ethyl]sulfamoyl}benzamide
• Synonyms: N-cyclopentyl-3-{[(2-pyridin-2-ylethyl)amino]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.8827715
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.0133276
• LogD (pH = 7.4): 2.055409
• Log P: 2.0572562
• Molar Refractivity: 100.1338 cm^3
• Polarizability: 39.301147 Å^3
• Polar Surface Area: 88.16 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: 2.21
• LOG S: -2.51
• Polar Surface Area: 88.16 Å^2
• Rotatable Bonds: 6