4-(4-methylsulfonylphenyl)pyridine

C12H11NO2S — CID 119085244

IUPAC4-(4-methylsulfonylphenyl)pyridine
SMILESCS(=O)(=O)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C12H11NO2S/c1-16(14,15)12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-9H,1H3
InChIKeyUQQQOQUMWRFLPB-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.15
Rot. Bonds2

About 4-(4-methylsulfonylphenyl)pyridine

4-(4-methylsulfonylphenyl)pyridine (PubChem CID 119085244) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 4-(4-methylsulfonylphenyl)pyridine.

Molecular Properties

Compound Name4-(4-methylsulfonylphenyl)pyridine
PubChem CID119085244
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name4-(4-methylsulfonylphenyl)pyridine
SMILESCS(=O)(=O)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C12H11NO2S/c1-16(14,15)12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-9H,1H3
InChIKeyUQQQOQUMWRFLPB-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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Related Compounds

4-[4-(4-pyridin-4-ylphenyl)sulfonylphenyl]pyridine
CID 155923380
4-[5-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-dien-6-yl]pyridine
CID 22907457
4-(3-methylsulfonylphenyl)pyridine;hydrochloride
CID 170341986
4-[4-(benzenesulfonyl)phenyl]pyridine
CID 119070513
2,2-dimethyl-5-(4-methylsulfonylphenyl)-4-pyridin-4-ylfuran-3-one
CID 18386162
2-(4-methylsulfonylphenyl)-4-pyridin-4-ylfuran-3-one
CID 172710972
2-(4-methylsulfonylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-one
CID 22349939
ethane;4-pyridin-4-ylpyridine
CID 142013036
1-methyl-3-(4-methylsulfonylphenyl)-4-pyridin-4-ylpyrazole-5-carboxylate
CID 19355534
1-methyl-4-(4-methylsulfonylphenyl)-3-pyridin-4-ylpyrazole-5-carboxylate
CID 19355776
[2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-ylpyrazol-3-yl]methanol
CID 19355404
3-(4-methylsulfonylphenyl)pyridine-4-carboxylic acid
CID 53224225

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylphenyl)pyridine?
The IUPAC name of 4-(4-methylsulfonylphenyl)pyridine (CID 119085244) is 4-(4-methylsulfonylphenyl)pyridine.
What is the SMILES notation for 4-(4-methylsulfonylphenyl)pyridine?
The canonical SMILES for 4-(4-methylsulfonylphenyl)pyridine is CS(=O)(=O)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 4-(4-methylsulfonylphenyl)pyridine?
The InChIKey is UQQQOQUMWRFLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-16(14,15)12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-9H,1H3.
What are the key properties of 4-(4-methylsulfonylphenyl)pyridine?
4-(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 4-(4-methylsulfonylphenyl)pyridine is sourced from PubChem (CID 119085244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).