N-ethyl-N-methyl-3-{[1-(pyrazin-2-yl)propan-2-yl]sulfamoyl}benzamide

• ChemBase ID: 344749
• Molecular Formular: C17H22N4O3S
• Molecular Mass: 362.44658
• Monoisotopic Mass: 362.14126158
• SMILES: S(=O)(=O)(NC(Cc1nccnc1)C)c1cc(C(=O)N(CC)C)ccc1
• Canonical SMILES: CCN(C(=O)c1cccc(c1)S(=O)(=O)NC(Cc1cnccn1)C)C
• InChI: InChI=1S/C17H22N4O3S/c1-4-21(3)17(22)14-6-5-7-16(11-14)25(23,24)20-13(2)10-15-12-18-8-9-19-15/h5-9,11-13,20H,4,10H2,1-3H3
• InChIKey: YZGDAYONNUYJSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-methyl-3-{[1-(pyrazin-2-yl)propan-2-yl]sulfamoyl}benzamide
• IUPAC Traditional name: N-ethyl-N-methyl-3-{[1-(pyrazin-2-yl)propan-2-yl]sulfamoyl}benzamide
• Synonyms: N-ethyl-N-methyl-3-{[(1-methyl-2-pyrazin-2-ylethyl)amino]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.871363
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.48192015
• LogD (pH = 7.4): 0.48064366
• Log P: 0.48194095
• Molar Refractivity: 95.6278 cm^3
• Polarizability: 37.313488 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: 5
• H Donor: 1
• Log P: 0.16
• LOG S: -3.29
• Polar Surface Area: 92.26 Å^2
• Rotatable Bonds: 6