N-[(5-methylfuran-2-yl)methyl]-4-[(oxolan-3-yl)sulfamoyl]benzamide

• ChemBase ID: 343258
• Molecular Formular: C17H20N2O5S
• Molecular Mass: 364.4161
• Monoisotopic Mass: 364.10929275
• SMILES: S(=O)(=O)(NC1CCOC1)c1ccc(C(=O)NCc2oc(cc2)C)cc1
• Canonical SMILES: Cc1ccc(o1)CNC(=O)c1ccc(cc1)S(=O)(=O)NC1COCC1
• InChI: InChI=1S/C17H20N2O5S/c1-12-2-5-15(24-12)10-18-17(20)13-3-6-16(7-4-13)25(21,22)19-14-8-9-23-11-14/h2-7,14,19H,8-11H2,1H3,(H,18,20)
• InChIKey: JFUYDBGBYXSKMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-methylfuran-2-yl)methyl]-4-[(oxolan-3-yl)sulfamoyl]benzamide
• IUPAC Traditional name: N-[(5-methylfuran-2-yl)methyl]-4-[(oxolan-3-yl)sulfamoyl]benzamide
• Synonyms: N-[(5-methyl-2-furyl)methyl]-4-[(tetrahydro-3-furanylamino)sulfonyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.879279
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.76276034
• LogD (pH = 7.4): 0.7615026
• Log P: 0.76277643
• Molar Refractivity: 92.851 cm^3
• Polarizability: 35.91445 Å^3
• Polar Surface Area: 97.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.55
• LOG S: -3.18
• Polar Surface Area: 97.64 Å^2
• Rotatable Bonds: 5