({[2-(2-fluorophenoxy)pyridin-3-yl]methyl}sulfamoyl)dimethylamine

• ChemBase ID: 639176
• Molecular Formular: C14H16FN3O3S
• Molecular Mass: 325.3585432
• Monoisotopic Mass: 325.08964061
• SMILES: S(=O)(=O)(NCc1c(Oc2c(F)cccc2)nccc1)N(C)C
• Canonical SMILES: Fc1ccccc1Oc1ncccc1CNS(=O)(=O)N(C)C
• InChI: InChI=1S/C14H16FN3O3S/c1-18(2)22(19,20)17-10-11-6-5-9-16-14(11)21-13-8-4-3-7-12(13)15/h3-9,17H,10H2,1-2H3
• InChIKey: NNNONQBAXVCCST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({[2-(2-fluorophenoxy)pyridin-3-yl]methyl}sulfamoyl)dimethylamine
• IUPAC Traditional name: ({[2-(2-fluorophenoxy)pyridin-3-yl]methyl}sulfamoyl)dimethylamine
• Synonyms: N'-{[2-(2-fluorophenoxy)-3-pyridinyl]methyl}-N,N-dimethylsulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.492868
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4239123
• LogD (pH = 7.4): 1.4236604
• Log P: 1.4239717
• Molar Refractivity: 80.7581 cm^3
• Polarizability: 31.845089 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.26
• LOG S: -4.43
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 4