N-(2-fluoroethyl)-3-{[1-(pyridin-3-yl)propyl]sulfamoyl}benzamide

• ChemBase ID: 625729
• Molecular Formular: C17H20FN3O3S
• Molecular Mass: 365.4224032
• Monoisotopic Mass: 365.12094074
• SMILES: S(=O)(=O)(NC(c1cnccc1)CC)c1cc(C(=O)NCCF)ccc1
• Canonical SMILES: FCCNC(=O)c1cccc(c1)S(=O)(=O)NC(c1cccnc1)CC
• InChI: InChI=1S/C17H20FN3O3S/c1-2-16(14-6-4-9-19-12-14)21-25(23,24)15-7-3-5-13(11-15)17(22)20-10-8-18/h3-7,9,11-12,16,21H,2,8,10H2,1H3,(H,20,22)
• InChIKey: VQJQJDMRWGFARF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluoroethyl)-3-{[1-(pyridin-3-yl)propyl]sulfamoyl}benzamide
• IUPAC Traditional name: N-(2-fluoroethyl)-3-{[1-(pyridin-3-yl)propyl]sulfamoyl}benzamide
• Synonyms: N-(2-fluoroethyl)-3-{[(1-pyridin-3-ylpropyl)amino]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.859099
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.4561317
• LogD (pH = 7.4): 1.5218785
• Log P: 1.5241569
• Molar Refractivity: 93.0864 cm^3
• Polarizability: 36.09039 Å^3
• Polar Surface Area: 88.16 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.52
• LOG S: -1.86
• Polar Surface Area: 88.16 Å^2
• Rotatable Bonds: 7