N-[2-(cyclohexylsulfanyl)ethyl]-2-fluoro-5-sulfamoylbenzamide

• ChemBase ID: 564105
• Molecular Formular: C15H21FN2O3S2
• Molecular Mass: 360.4672432
• Monoisotopic Mass: 360.09776276
• SMILES: S(=O)(=O)(c1cc(C(=O)NCCSC2CCCCC2)c(cc1)F)N
• Canonical SMILES: O=C(c1cc(ccc1F)S(=O)(=O)N)NCCSC1CCCCC1
• InChI: InChI=1S/C15H21FN2O3S2/c16-14-7-6-12(23(17,20)21)10-13(14)15(19)18-8-9-22-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,18,19)(H2,17,20,21)
• InChIKey: UFHACZDDWBKTKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(cyclohexylsulfanyl)ethyl]-2-fluoro-5-sulfamoylbenzamide
• IUPAC Traditional name: N-[2-(cyclohexylsulfanyl)ethyl]-2-fluoro-5-sulfamoylbenzamide
• Synonyms: 5-(aminosulfonyl)-N-[2-(cyclohexylthio)ethyl]-2-fluorobenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.5515995
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.1803443
• LogD (pH = 7.4): 2.1776752
• Log P: 2.1803787
• Molar Refractivity: 90.6459 cm^3
• Polarizability: 35.25298 Å^3
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.45
• LOG S: -3.92
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 6