2-(4-methylsulfonylphenyl)pyridine

C12H11NO2S — CID 46937403

IUPAC2-(4-methylsulfonylphenyl)pyridine
SMILESCS(=O)(=O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C12H11NO2S/c1-16(14,15)11-7-5-10(6-8-11)12-4-2-3-9-13-12/h2-9H,1H3
InChIKeyPCRZBBOIGHSIEX-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.15
Rot. Bonds2

About 2-(4-methylsulfonylphenyl)pyridine

2-(4-methylsulfonylphenyl)pyridine (PubChem CID 46937403) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)pyridine.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)pyridine
PubChem CID46937403
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name2-(4-methylsulfonylphenyl)pyridine
SMILESCS(=O)(=O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C12H11NO2S/c1-16(14,15)11-7-5-10(6-8-11)12-4-2-3-9-13-12/h2-9H,1H3
InChIKeyPCRZBBOIGHSIEX-UHFFFAOYSA-N
XLogP2.15
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)pyridine?
The IUPAC name of 2-(4-methylsulfonylphenyl)pyridine (CID 46937403) is 2-(4-methylsulfonylphenyl)pyridine.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)pyridine?
The canonical SMILES for 2-(4-methylsulfonylphenyl)pyridine is CS(=O)(=O)c1ccc(-c2ccccn2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)pyridine?
The InChIKey is PCRZBBOIGHSIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-16(14,15)11-7-5-10(6-8-11)12-4-2-3-9-13-12/h2-9H,1H3.
What are the key properties of 2-(4-methylsulfonylphenyl)pyridine?
2-(4-methylsulfonylphenyl)pyridine has a molecular weight of 233.29 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)pyridine is sourced from PubChem (CID 46937403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).