N-cyclobutyl-3-[(oxolan-3-yl)sulfamoyl]benzamide

• ChemBase ID: 781166
• Molecular Formular: C15H20N2O4S
• Molecular Mass: 324.3953
• Monoisotopic Mass: 324.11437813
• SMILES: S(=O)(=O)(NC1CCOC1)c1cc(C(=O)NC2CCC2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)NC1CCOC1)NC1CCC1
• InChI: InChI=1S/C15H20N2O4S/c18-15(16-12-4-2-5-12)11-3-1-6-14(9-11)22(19,20)17-13-7-8-21-10-13/h1,3,6,9,12-13,17H,2,4-5,7-8,10H2,(H,16,18)
• InChIKey: OZSVFCWRTFOSPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.866146
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.68861187
• LogD (pH = 7.4): 0.6873157
• Log P: 0.68862855
• Molar Refractivity: 82.51 cm^3
• Polarizability: 32.464626 Å^3
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.72
• LOG S: -2.18
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 4