N-cyclobutyl-3-[methyl(oxolan-3-ylmethyl)sulfamoyl]benzamide

• ChemBase ID: 641527
• Molecular Formular: C17H24N2O4S
• Molecular Mass: 352.44846
• Monoisotopic Mass: 352.14567826
• SMILES: S(=O)(=O)(N(CC1COCC1)C)c1cc(C(=O)NC2CCC2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)N(CC1CCOC1)C)NC1CCC1
• InChI: InChI=1S/C17H24N2O4S/c1-19(11-13-8-9-23-12-13)24(21,22)16-7-2-4-14(10-16)17(20)18-15-5-3-6-15/h2,4,7,10,13,15H,3,5-6,8-9,11-12H2,1H3,(H,18,20)
• InChIKey: QSRDKIWFFDNMIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutyl-3-[methyl(oxolan-3-ylmethyl)sulfamoyl]benzamide
• IUPAC Traditional name: N-cyclobutyl-3-[methyl(oxolan-3-ylmethyl)sulfamoyl]benzamide
• Synonyms: N-cyclobutyl-3-{[methyl(tetrahydrofuran-3-ylmethyl)amino]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.114106
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.029853
• LogD (pH = 7.4): 1.0298531
• Log P: 1.0298532
• Molar Refractivity: 92.3903 cm^3
• Polarizability: 36.127552 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.45
• LOG S: -3.01
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 5