N-benzyl{[2-(2-fluorophenoxy)pyridin-3-yl]amino}sulfonamide

• ChemBase ID: 692751
• Molecular Formular: C18H16FN3O3S
• Molecular Mass: 373.4013432
• Monoisotopic Mass: 373.08964061
• SMILES: S(=O)(=O)(Nc1c(Oc2c(F)cccc2)nccc1)NCc1ccccc1
• Canonical SMILES: Fc1ccccc1Oc1ncccc1NS(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C18H16FN3O3S/c19-15-9-4-5-11-17(15)25-18-16(10-6-12-20-18)22-26(23,24)21-13-14-7-2-1-3-8-14/h1-12,21-22H,13H2
• InChIKey: ILLHYRAHDFRACW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl{[2-(2-fluorophenoxy)pyridin-3-yl]amino}sulfonamide
• IUPAC Traditional name: N-benzyl{[2-(2-fluorophenoxy)pyridin-3-yl]amino}sulfonamide
• Synonyms: N-benzyl-N'-[2-(2-fluorophenoxy)pyridin-3-yl]sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.417281
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.857787
• LogD (pH = 7.4): 2.8231356
• Log P: 2.858254
• Molar Refractivity: 95.639 cm^3
• Polarizability: 37.708485 Å^3
• Polar Surface Area: 80.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.09
• LOG S: -4.56
• Polar Surface Area: 80.32 Å^2
• Rotatable Bonds: 5