N-cyclobutyl-3-[(oxan-3-ylmethyl)sulfamoyl]benzamide

• ChemBase ID: 476473
• Molecular Formular: C17H24N2O4S
• Molecular Mass: 352.44846
• Monoisotopic Mass: 352.14567826
• SMILES: S(=O)(=O)(c1cc(C(=O)NC2CCC2)ccc1)NCC1COCCC1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)NCC1CCCOC1)NC1CCC1
• InChI: InChI=1S/C17H24N2O4S/c20-17(19-15-6-2-7-15)14-5-1-8-16(10-14)24(21,22)18-11-13-4-3-9-23-12-13/h1,5,8,10,13,15,18H,2-4,6-7,9,11-12H2,(H,19,20)
• InChIKey: WKLFLUDKDQCFJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutyl-3-[(oxan-3-ylmethyl)sulfamoyl]benzamide
• IUPAC Traditional name: N-cyclobutyl-3-[(oxan-3-ylmethyl)sulfamoyl]benzamide
• Synonyms: N-cyclobutyl-3-{[(tetrahydro-2H-pyran-3-ylmethyl)amino]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.882848
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2507297
• LogD (pH = 7.4): 1.2494824
• Log P: 1.2507458
• Molar Refractivity: 92.0946 cm^3
• Polarizability: 36.127712 Å^3
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.34
• LOG S: -2.91
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 5