4-[methylsulfonyl(phenyl)methyl]pyridine

C13H13NO2S — CID 11543303

IUPAC4-[methylsulfonyl(phenyl)methyl]pyridine
SMILESCS(=O)(=O)C(c1ccccc1)c1ccncc1
InChIInChI=1S/C13H13NO2S/c1-17(15,16)13(11-5-3-2-4-6-11)12-7-9-14-10-8-12/h2-10,13H,1H3
InChIKeyRJTRJCRNXNVZHJ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.22
Rot. Bonds3

About 4-[methylsulfonyl(phenyl)methyl]pyridine

4-[methylsulfonyl(phenyl)methyl]pyridine (PubChem CID 11543303) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-[methylsulfonyl(phenyl)methyl]pyridine.

Molecular Properties

Compound Name4-[methylsulfonyl(phenyl)methyl]pyridine
PubChem CID11543303
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name4-[methylsulfonyl(phenyl)methyl]pyridine
SMILESCS(=O)(=O)C(c1ccccc1)c1ccncc1
InChIInChI=1S/C13H13NO2S/c1-17(15,16)13(11-5-3-2-4-6-11)12-7-9-14-10-8-12/h2-10,13H,1H3
InChIKeyRJTRJCRNXNVZHJ-UHFFFAOYSA-N
XLogP2.22
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methylsulfonyl(phenyl)methyl]-2,3-dihydroazete
CID 90980477
4-benzhydrylpyridine;ethane
CID 90843990
4-(1,2-diphenyl-2-pyridin-4-ylethyl)pyridine
CID 12691374
4-[bromo(phenyl)methyl]pyridine
CID 43608201
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
N-methyl-1-phenyl-2-pyridin-4-ylpropan-1-amine
CID 66446573
trimethyl-(2-phenyl-2-pyridin-4-ylethyl)silane
CID 132534673
5-[methylsulfonyl(phenyl)methyl]-2-phenylbenzonitrile
CID 174262740
2,2-dimethyl-3-[[phenyl(pyridin-4-yl)methyl]amino]propanoic acid
CID 79621337
2-phenyl-1-pyridin-4-ylpropan-1-amine
CID 22301590
[(1S)-1-pyridin-4-ylethyl] methanesulfonate
CID 163739842
4-(1-bromo-1-phenylpropan-2-yl)pyridine
CID 66452433

Frequently Asked Questions

What is the IUPAC name of 4-[methylsulfonyl(phenyl)methyl]pyridine?
The IUPAC name of 4-[methylsulfonyl(phenyl)methyl]pyridine (CID 11543303) is 4-[methylsulfonyl(phenyl)methyl]pyridine.
What is the SMILES notation for 4-[methylsulfonyl(phenyl)methyl]pyridine?
The canonical SMILES for 4-[methylsulfonyl(phenyl)methyl]pyridine is CS(=O)(=O)C(c1ccccc1)c1ccncc1.
What is the InChIKey of 4-[methylsulfonyl(phenyl)methyl]pyridine?
The InChIKey is RJTRJCRNXNVZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-17(15,16)13(11-5-3-2-4-6-11)12-7-9-14-10-8-12/h2-10,13H,1H3.
What are the key properties of 4-[methylsulfonyl(phenyl)methyl]pyridine?
4-[methylsulfonyl(phenyl)methyl]pyridine has a molecular weight of 247.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methylsulfonyl(phenyl)methyl]pyridine is sourced from PubChem (CID 11543303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).