3-(cyclopentylsulfamoyl)-N-(oxan-3-ylmethyl)benzamide

• ChemBase ID: 316465
• Molecular Formular: C18H26N2O4S
• Molecular Mass: 366.47504
• Monoisotopic Mass: 366.16132832
• SMILES: S(=O)(=O)(NC1CCCC1)c1cc(C(=O)NCC2COCCC2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)NC1CCCC1)NCC1CCCOC1
• InChI: InChI=1S/C18H26N2O4S/c21-18(19-12-14-5-4-10-24-13-14)15-6-3-9-17(11-15)25(22,23)20-16-7-1-2-8-16/h3,6,9,11,14,16,20H,1-2,4-5,7-8,10,12-13H2,(H,19,21)
• InChIKey: ZSGUVQSHJNMISH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclopentylsulfamoyl)-N-(oxan-3-ylmethyl)benzamide
• IUPAC Traditional name: 3-(cyclopentylsulfamoyl)-N-(oxan-3-ylmethyl)benzamide
• Synonyms: 3-[(cyclopentylamino)sulfonyl]-N-(tetrahydro-2H-pyran-3-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.873981
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.695298
• LogD (pH = 7.4): 1.694025
• Log P: 1.6953144
• Molar Refractivity: 96.6956 cm^3
• Polarizability: 37.961136 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: 1.9
• LOG S: -3.5
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 5