4-(cyclobutylsulfamoyl)-N-[2-(pyridin-4-yl)ethyl]benzamide

• ChemBase ID: 781194
• Molecular Formular: C18H21N3O3S
• Molecular Mass: 359.44264
• Monoisotopic Mass: 359.13036255
• SMILES: S(=O)(=O)(NC1CCC1)c1ccc(C(=O)NCCc2ccncc2)cc1
• Canonical SMILES: O=C(c1ccc(cc1)S(=O)(=O)NC1CCC1)NCCc1ccncc1
• InChI: InChI=1S/C18H21N3O3S/c22-18(20-13-10-14-8-11-19-12-9-14)15-4-6-17(7-5-15)25(23,24)21-16-2-1-3-16/h4-9,11-12,16,21H,1-3,10,13H2,(H,20,22)
• InChIKey: WVKJFGDRNJFJCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclobutylsulfamoyl)-N-[2-(pyridin-4-yl)ethyl]benzamide
• IUPAC Traditional name: 4-(cyclobutylsulfamoyl)-N-[2-(pyridin-4-yl)ethyl]benzamide
• Synonyms: 4-[(cyclobutylamino)sulfonyl]-N-[2-(4-pyridinyl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.888866
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.4665533
• LogD (pH = 7.4): 1.5798818
• Log P: 1.5828642
• Molar Refractivity: 96.1106 cm^3
• Polarizability: 37.46417 Å^3
• Polar Surface Area: 88.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.52
• LOG S: -1.82
• Polar Surface Area: 88.16 Å^2
• Rotatable Bonds: 6