N-ethyl-N-methyl-3-{[(5-methylpyrazin-2-yl)methyl]sulfamoyl}benzamide

• ChemBase ID: 485696
• Molecular Formular: C16H20N4O3S
• Molecular Mass: 348.42
• Monoisotopic Mass: 348.12561152
• SMILES: S(=O)(=O)(NCc1ncc(nc1)C)c1cc(C(=O)N(CC)C)ccc1
• Canonical SMILES: CCN(C(=O)c1cccc(c1)S(=O)(=O)NCc1cnc(cn1)C)C
• InChI: InChI=1S/C16H20N4O3S/c1-4-20(3)16(21)13-6-5-7-15(8-13)24(22,23)19-11-14-10-17-12(2)9-18-14/h5-10,19H,4,11H2,1-3H3
• InChIKey: VRVYTQDLYDEIBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-methyl-3-{[(5-methylpyrazin-2-yl)methyl]sulfamoyl}benzamide
• IUPAC Traditional name: N-ethyl-N-methyl-3-{[(5-methylpyrazin-2-yl)methyl]sulfamoyl}benzamide
• Synonyms: N-ethyl-N-methyl-3-({[(5-methylpyrazin-2-yl)methyl]amino}sulfonyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.862343
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.040308323
• LogD (pH = 7.4): -0.041601244
• Log P: -0.040276647
• Molar Refractivity: 91.1011 cm^3
• Polarizability: 35.404556 Å^3
• Polar Surface Area: 92.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.14
• LOG S: -2.93
• Polar Surface Area: 92.26 Å^2
• Rotatable Bonds: 5