4-(cyclopentylsulfamoyl)-N-(furan-3-ylmethyl)benzamide

• ChemBase ID: 830749
• Molecular Formular: C17H20N2O4S
• Molecular Mass: 348.4167
• Monoisotopic Mass: 348.11437813
• SMILES: S(=O)(=O)(NC1CCCC1)c1ccc(C(=O)NCc2cocc2)cc1
• Canonical SMILES: O=C(c1ccc(cc1)S(=O)(=O)NC1CCCC1)NCc1cocc1
• InChI: InChI=1S/C17H20N2O4S/c20-17(18-11-13-9-10-23-12-13)14-5-7-16(8-6-14)24(21,22)19-15-3-1-2-4-15/h5-10,12,15,19H,1-4,11H2,(H,18,20)
• InChIKey: KOVMLITVJFHFQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclopentylsulfamoyl)-N-(furan-3-ylmethyl)benzamide
• IUPAC Traditional name: 4-(cyclopentylsulfamoyl)-N-(furan-3-ylmethyl)benzamide
• Synonyms: 4-[(cyclopentylamino)sulfonyl]-N-(3-furylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.887401
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.0966737
• LogD (pH = 7.4): 2.0954392
• Log P: 2.0966895
• Molar Refractivity: 90.6269 cm^3
• Polarizability: 35.255962 Å^3
• Polar Surface Area: 88.41 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: 2.81
• LOG S: -4.14
• Polar Surface Area: 88.41 Å^2
• Rotatable Bonds: 5