5-[4-chloro-5-(3-fluorophenyl)imidazol-1-yl]-2-methylsulfonylpyridine

C15H11ClFN3O2S — CID 57334846

IUPAC5-[4-chloro-5-(3-fluorophenyl)imidazol-1-yl]-2-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2cccc(F)c2)cn1
InChIInChI=1S/C15H11ClFN3O2S/c1-23(21,22)13-6-5-12(8-18-13)20-9-19-15(16)14(20)10-3-2-4-11(17)7-10/h2-9H,1H3
InChIKeyCUTFFBOZQUYXGI-UHFFFAOYSA-N
MW351.79 g/mol
LogP3.13
Rot. Bonds3

About 5-[4-chloro-5-(3-fluorophenyl)imidazol-1-yl]-2-methylsulfonylpyridine

5-[4-chloro-5-(3-fluorophenyl)imidazol-1-yl]-2-methylsulfonylpyridine (PubChem CID 57334846) has the molecular formula C15H11ClFN3O2S and a molecular weight of 351.79 g/mol. Its IUPAC name is 5-[4-chloro-5-(3-fluorophenyl)imidazol-1-yl]-2-methylsulfonylpyridine.

Molecular Properties

Compound Name5-[4-chloro-5-(3-fluorophenyl)imidazol-1-yl]-2-methylsulfonylpyridine
PubChem CID57334846
Molecular FormulaC15H11ClFN3O2S
Molecular Weight351.79 g/mol
Exact Mass351.02
IUPAC Name5-[4-chloro-5-(3-fluorophenyl)imidazol-1-yl]-2-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2cccc(F)c2)cn1
InChIInChI=1S/C15H11ClFN3O2S/c1-23(21,22)13-6-5-12(8-18-13)20-9-19-15(16)14(20)10-3-2-4-11(17)7-10/h2-9H,1H3
InChIKeyCUTFFBOZQUYXGI-UHFFFAOYSA-N
XLogP3.13
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-5-(3-fluorophenyl)imidazol-1-yl]-2-methylsulfonylpyridine?
The IUPAC name of 5-[4-chloro-5-(3-fluorophenyl)imidazol-1-yl]-2-methylsulfonylpyridine (CID 57334846) is 5-[4-chloro-5-(3-fluorophenyl)imidazol-1-yl]-2-methylsulfonylpyridine.
What is the SMILES notation for 5-[4-chloro-5-(3-fluorophenyl)imidazol-1-yl]-2-methylsulfonylpyridine?
The canonical SMILES for 5-[4-chloro-5-(3-fluorophenyl)imidazol-1-yl]-2-methylsulfonylpyridine is CS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2cccc(F)c2)cn1.
What is the InChIKey of 5-[4-chloro-5-(3-fluorophenyl)imidazol-1-yl]-2-methylsulfonylpyridine?
The InChIKey is CUTFFBOZQUYXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2S/c1-23(21,22)13-6-5-12(8-18-13)20-9-19-15(16)14(20)10-3-2-4-11(17)7-10/h2-9H,1H3.
What are the key properties of 5-[4-chloro-5-(3-fluorophenyl)imidazol-1-yl]-2-methylsulfonylpyridine?
5-[4-chloro-5-(3-fluorophenyl)imidazol-1-yl]-2-methylsulfonylpyridine has a molecular weight of 351.79 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-5-(3-fluorophenyl)imidazol-1-yl]-2-methylsulfonylpyridine is sourced from PubChem (CID 57334846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).