(benzylsulfamoyl)[2-(4-phenylpyrimidin-2-yl)ethyl]amine

• ChemBase ID: 493015
• Molecular Formular: C19H20N4O2S
• Molecular Mass: 368.4527
• Monoisotopic Mass: 368.1306969
• SMILES: S(=O)(=O)(NCc1ccccc1)NCCc1nc(c2ccccc2)ccn1
• Canonical SMILES: O=S(=O)(NCc1ccccc1)NCCc1nccc(n1)c1ccccc1
• InChI: InChI=1S/C19H20N4O2S/c24-26(25,22-15-16-7-3-1-4-8-16)21-14-12-19-20-13-11-18(23-19)17-9-5-2-6-10-17/h1-11,13,21-22H,12,14-15H2
• InChIKey: IBWIZTAIHLZZJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (benzylsulfamoyl)[2-(4-phenylpyrimidin-2-yl)ethyl]amine
• IUPAC Traditional name: (benzylsulfamoyl)[2-(4-phenylpyrimidin-2-yl)ethyl]amine
• Synonyms: N-benzyl-N'-[2-(4-phenylpyrimidin-2-yl)ethyl]sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.171268
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.8336291
• LogD (pH = 7.4): 2.8336923
• Log P: 2.834373
• Molar Refractivity: 101.4988 cm^3
• Polarizability: 41.369884 Å^3
• Polar Surface Area: 83.98 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.59
• LOG S: -4.1
• Polar Surface Area: 83.98 Å^2
• Rotatable Bonds: 6