N-[(5-methylpyrazin-2-yl)methyl]-3-[(oxolan-3-yl)sulfamoyl]benzamide

• ChemBase ID: 755366
• Molecular Formular: C17H20N4O4S
• Molecular Mass: 376.4301
• Monoisotopic Mass: 376.12052614
• SMILES: S(=O)(=O)(NC1CCOC1)c1cc(C(=O)NCc2ncc(nc2)C)ccc1
• Canonical SMILES: Cc1cnc(cn1)CNC(=O)c1cccc(c1)S(=O)(=O)NC1COCC1
• InChI: InChI=1S/C17H20N4O4S/c1-12-8-19-15(9-18-12)10-20-17(22)13-3-2-4-16(7-13)26(23,24)21-14-5-6-25-11-14/h2-4,7-9,14,21H,5-6,10-11H2,1H3,(H,20,22)
• InChIKey: GZIYXTMHUBYEOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-methylpyrazin-2-yl)methyl]-3-[(oxolan-3-yl)sulfamoyl]benzamide
• IUPAC Traditional name: N-[(5-methylpyrazin-2-yl)methyl]-3-[(oxolan-3-yl)sulfamoyl]benzamide
• Synonyms: N-[(5-methylpyrazin-2-yl)methyl]-3-[(tetrahydrofuran-3-ylamino)sulfonyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.865922
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.7195661
• LogD (pH = 7.4): -0.7208481
• Log P: -0.71953434
• Molar Refractivity: 95.0659 cm^3
• Polarizability: 37.249653 Å^3
• Polar Surface Area: 110.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -0.16
• LOG S: -3.12
• Polar Surface Area: 110.28 Å^2
• Rotatable Bonds: 5