N-benzyl[(6-fluoropyridin-3-yl)amino]sulfonamide

• ChemBase ID: 698951
• Molecular Formular: C12H12FN3O2S
• Molecular Mass: 281.3059832
• Monoisotopic Mass: 281.06342586
• SMILES: S(=O)(=O)(Nc1cnc(F)cc1)NCc1ccccc1
• Canonical SMILES: Fc1ccc(cn1)NS(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C12H12FN3O2S/c13-12-7-6-11(9-14-12)16-19(17,18)15-8-10-4-2-1-3-5-10/h1-7,9,15-16H,8H2
• InChIKey: NCGVCJCWFJKHTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl[(6-fluoropyridin-3-yl)amino]sulfonamide
• IUPAC Traditional name: N-benzyl[(6-fluoropyridin-3-yl)amino]sulfonamide
• Synonyms: N-benzyl-N'-(6-fluoropyridin-3-yl)sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.670729
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.157414
• LogD (pH = 7.4): 1.1553832
• Log P: 1.15744
• Molar Refractivity: 70.0994 cm^3
• Polarizability: 27.406462 Å^3
• Polar Surface Area: 71.09 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.94
• LOG S: -2.91
• Polar Surface Area: 71.09 Å^2
• Rotatable Bonds: 3