dimethyl({[(2-phenoxypyridin-3-yl)methyl]sulfamoyl})amine

• ChemBase ID: 634199
• Molecular Formular: C14H17N3O3S
• Molecular Mass: 307.36808
• Monoisotopic Mass: 307.09906242
• SMILES: S(=O)(=O)(NCc1c(Oc2ccccc2)nccc1)N(C)C
• Canonical SMILES: CN(S(=O)(=O)NCc1cccnc1Oc1ccccc1)C
• InChI: InChI=1S/C14H17N3O3S/c1-17(2)21(18,19)16-11-12-7-6-10-15-14(12)20-13-8-4-3-5-9-13/h3-10,16H,11H2,1-2H3
• InChIKey: SKHRHGNUOOWRRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({[(2-phenoxypyridin-3-yl)methyl]sulfamoyl})amine
• IUPAC Traditional name: dimethyl({[(2-phenoxypyridin-3-yl)methyl]sulfamoyl})amine
• Synonyms: N,N-dimethyl-N'-[(2-phenoxy-3-pyridinyl)methyl]sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.500115
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2811996
• LogD (pH = 7.4): 1.2809634
• Log P: 1.2812697
• Molar Refractivity: 80.5417 cm^3
• Polarizability: 32.129036 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: 2.32
• LOG S: -4.13
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 4