3-chloro-2-(2-phenylethylsulfonyl)pyridine

C13H12ClNO2S — CID 166181690

IUPAC3-chloro-2-(2-phenylethylsulfonyl)pyridine
SMILESO=S(=O)(CCc1ccccc1)c1ncccc1Cl
InChIInChI=1S/C13H12ClNO2S/c14-12-7-4-9-15-13(12)18(16,17)10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2
InChIKeyJGMREXYRYVIJLA-UHFFFAOYSA-N
MW281.76 g/mol
LogP2.75
Rot. Bonds4

About 3-chloro-2-(2-phenylethylsulfonyl)pyridine

3-chloro-2-(2-phenylethylsulfonyl)pyridine (PubChem CID 166181690) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is 3-chloro-2-(2-phenylethylsulfonyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(2-phenylethylsulfonyl)pyridine
PubChem CID166181690
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC Name3-chloro-2-(2-phenylethylsulfonyl)pyridine
SMILESO=S(=O)(CCc1ccccc1)c1ncccc1Cl
InChIInChI=1S/C13H12ClNO2S/c14-12-7-4-9-15-13(12)18(16,17)10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2
InChIKeyJGMREXYRYVIJLA-UHFFFAOYSA-N
XLogP2.75
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 134114181
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3-[(3-chloro-2-pyridinyl)sulfonyl]-N-cyclopentylpropanamide
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2-chloro-4-(2-phenylethylsulfonyl)aniline
CID 81201936
2-(trichloromethylsulfonyl)ethylbenzene
CID 90481896
[[(3-chloro-2-pyridinyl)-methyl-oxo-λ6-sulfanylidene]amino]-trimethylsilane
CID 170607335
3-(2-phenylethylsulfonylamino)pyridine-2-carboxylic acid
CID 104740639
2-benzylsulfanyl-3-chloropyridine;formic acid
CID 174946739
N-(3-chloro-2-pyridinyl)-2-phenylacetamide
CID 903998
N-[6-(2-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113018483
potassium;hydride;2-phenylethanesulfonamide
CID 173120901

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-phenylethylsulfonyl)pyridine?
The IUPAC name of 3-chloro-2-(2-phenylethylsulfonyl)pyridine (CID 166181690) is 3-chloro-2-(2-phenylethylsulfonyl)pyridine.
What is the SMILES notation for 3-chloro-2-(2-phenylethylsulfonyl)pyridine?
The canonical SMILES for 3-chloro-2-(2-phenylethylsulfonyl)pyridine is O=S(=O)(CCc1ccccc1)c1ncccc1Cl.
What is the InChIKey of 3-chloro-2-(2-phenylethylsulfonyl)pyridine?
The InChIKey is JGMREXYRYVIJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c14-12-7-4-9-15-13(12)18(16,17)10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2.
What are the key properties of 3-chloro-2-(2-phenylethylsulfonyl)pyridine?
3-chloro-2-(2-phenylethylsulfonyl)pyridine has a molecular weight of 281.76 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-phenylethylsulfonyl)pyridine is sourced from PubChem (CID 166181690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).