N,N-dimethyl-2-[(6-methyl-2-phenylpyrimidin-4-yl)amino]ethane-1-sulfonamide

• ChemBase ID: 489153
• Molecular Formular: C15H20N4O2S
• Molecular Mass: 320.4099
• Monoisotopic Mass: 320.1306969
• SMILES: S(=O)(=O)(N(C)C)CCNc1nc(nc(c1)C)c1ccccc1
• Canonical SMILES: Cc1cc(NCCS(=O)(=O)N(C)C)nc(n1)c1ccccc1
• InChI: InChI=1S/C15H20N4O2S/c1-12-11-14(16-9-10-22(20,21)19(2)3)18-15(17-12)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,16,17,18)
• InChIKey: XDWSWLXWXBEVSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-[(6-methyl-2-phenylpyrimidin-4-yl)amino]ethane-1-sulfonamide
• IUPAC Traditional name: N,N-dimethyl-2-[(6-methyl-2-phenylpyrimidin-4-yl)amino]ethanesulfonamide
• Synonyms: N,N-dimethyl-2-[(6-methyl-2-phenylpyrimidin-4-yl)amino]ethanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.808872
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.9875508
• LogD (pH = 7.4): 1.8059156
• Log P: 1.8384789
• Molar Refractivity: 99.2473 cm^3
• Polarizability: 34.388794 Å^3
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.84
• LOG S: -3.96
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 5