N-methyl-4-(propylsulfamoyl)-N-(pyrazin-2-ylmethyl)benzamide

• ChemBase ID: 610053
• Molecular Formular: C16H20N4O3S
• Molecular Mass: 348.42
• Monoisotopic Mass: 348.12561152
• SMILES: S(=O)(=O)(c1ccc(C(=O)N(Cc2nccnc2)C)cc1)NCCC
• Canonical SMILES: CCCNS(=O)(=O)c1ccc(cc1)C(=O)N(Cc1nccnc1)C
• InChI: InChI=1S/C16H20N4O3S/c1-3-8-19-24(22,23)15-6-4-13(5-7-15)16(21)20(2)12-14-11-17-9-10-18-14/h4-7,9-11,19H,3,8,12H2,1-2H3
• InChIKey: TZEGDEQXHHOTOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4-(propylsulfamoyl)-N-(pyrazin-2-ylmethyl)benzamide
• IUPAC Traditional name: N-methyl-4-(propylsulfamoyl)-N-(pyrazin-2-ylmethyl)benzamide
• Synonyms: N-methyl-4-[(propylamino)sulfonyl]-N-(2-pyrazinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.891303
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.35085705
• LogD (pH = 7.4): 0.3496364
• Log P: 0.3508756
• Molar Refractivity: 91.0336 cm^3
• Polarizability: 35.478687 Å^3
• Polar Surface Area: 92.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.82
• LOG S: -2.44
• Polar Surface Area: 92.26 Å^2
• Rotatable Bonds: 6