2-(5-chlorothiophen-2-yl)-1-(2-methanesulfonylethyl)-1H-imidazole

• ChemBase ID: 624377
• Molecular Formular: C10H11ClN2O2S2
• Molecular Mass: 290.78954
• Monoisotopic Mass: 289.99504728
• SMILES: c1(c2sc(cc2)Cl)n(CCS(=O)(=O)C)ccn1
• Canonical SMILES: Clc1ccc(s1)c1nccn1CCS(=O)(=O)C
• InChI: InChI=1S/C10H11ClN2O2S2/c1-17(14,15)7-6-13-5-4-12-10(13)8-2-3-9(11)16-8/h2-5H,6-7H2,1H3
• InChIKey: HWJORIWBXIQROZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-chlorothiophen-2-yl)-1-(2-methanesulfonylethyl)-1H-imidazole
• IUPAC Traditional name: 2-(5-chlorothiophen-2-yl)-1-(2-methanesulfonylethyl)imidazole
• Synonyms: 2-(5-chloro-2-thienyl)-1-[2-(methylsulfonyl)ethyl]-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0743676
• LogD (pH = 7.4): 1.3253996
• Log P: 1.3301033
• Molar Refractivity: 77.9331 cm^3
• Polarizability: 27.780636 Å^3
• Polar Surface Area: 51.96 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.08
• LOG S: -2.24
• Polar Surface Area: 51.96 Å^2
• Rotatable Bonds: 4