N-methyl-N-[1-(pyrazin-2-yl)propan-2-yl]-4-sulfamoylbenzamide

• ChemBase ID: 715899
• Molecular Formular: C15H18N4O3S
• Molecular Mass: 334.39342
• Monoisotopic Mass: 334.10996146
• SMILES: S(=O)(=O)(c1ccc(C(=O)N(C(Cc2nccnc2)C)C)cc1)N
• Canonical SMILES: CC(N(C(=O)c1ccc(cc1)S(=O)(=O)N)C)Cc1nccnc1
• InChI: InChI=1S/C15H18N4O3S/c1-11(9-13-10-17-7-8-18-13)19(2)15(20)12-3-5-14(6-4-12)23(16,21)22/h3-8,10-11H,9H2,1-2H3,(H2,16,21,22)
• InChIKey: LYWKHGKKVHJCFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[1-(pyrazin-2-yl)propan-2-yl]-4-sulfamoylbenzamide
• IUPAC Traditional name: N-methyl-N-[1-(pyrazin-2-yl)propan-2-yl]-4-sulfamoylbenzamide
• Synonyms: 4-(aminosulfonyl)-N-methyl-N-(1-methyl-2-pyrazin-2-ylethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.944
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.098561324
• LogD (pH = 7.4): -0.09964089
• Log P: -0.09854308
• Molar Refractivity: 85.9825 cm^3
• Polarizability: 33.647533 Å^3
• Polar Surface Area: 106.25 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: -0.96
• LOG S: -2.13
• Polar Surface Area: 106.25 Å^2
• Rotatable Bonds: 5