2-[1-(2,6-dichlorophenyl)ethylsulfonyl]pyridine

C13H11Cl2NO2S — CID 56617000

IUPAC2-[1-(2,6-dichlorophenyl)ethylsulfonyl]pyridine
SMILESCC(c1c(Cl)cccc1Cl)S(=O)(=O)c1ccccn1
InChIInChI=1S/C13H11Cl2NO2S/c1-9(13-10(14)5-4-6-11(13)15)19(17,18)12-7-2-3-8-16-12/h2-9H,1H3
InChIKeyCGWPITIVEDEJHW-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.92
Rot. Bonds3

About 2-[1-(2,6-dichlorophenyl)ethylsulfonyl]pyridine

2-[1-(2,6-dichlorophenyl)ethylsulfonyl]pyridine (PubChem CID 56617000) has the molecular formula C13H11Cl2NO2S and a molecular weight of 316.21 g/mol. Its IUPAC name is 2-[1-(2,6-dichlorophenyl)ethylsulfonyl]pyridine.

Molecular Properties

Compound Name2-[1-(2,6-dichlorophenyl)ethylsulfonyl]pyridine
PubChem CID56617000
Molecular FormulaC13H11Cl2NO2S
Molecular Weight316.21 g/mol
Exact Mass314.99
IUPAC Name2-[1-(2,6-dichlorophenyl)ethylsulfonyl]pyridine
SMILESCC(c1c(Cl)cccc1Cl)S(=O)(=O)c1ccccn1
InChIInChI=1S/C13H11Cl2NO2S/c1-9(13-10(14)5-4-6-11(13)15)19(17,18)12-7-2-3-8-16-12/h2-9H,1H3
InChIKeyCGWPITIVEDEJHW-UHFFFAOYSA-N
XLogP3.92
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-bromophenyl)ethylsulfonyl]pyridine
CID 22764673
2-[1-(4-methylsulfonylphenyl)ethylsulfonyl]pyridine
CID 21438617
2-(1-fluoro-2-methylpropyl)sulfonylpyridine
CID 141385897
2-[1-(4-phenoxyphenyl)ethylsulfonyl]pyridine
CID 22764678
2-methylpropane;pyridine-2-sulfonic acid
CID 174713168
2-(tribromomethylsulfonyl)pyridine
CID 159318212
2-[1-bromo-1-(2-chloro-6-fluorophenyl)propan-2-yl]pyridine
CID 66454214
(1R)-1-pyridin-2-ylethanesulfonamide
CID 94347246
(2S,4S)-4-(2,6-dichlorophenyl)-3-oxo-2-pyridin-2-ylpentanenitrile
CID 95619124
2-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]sulfonylpyridine
CID 124620967
2-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenyl)acetaldehyde
CID 87523505
1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 66446048

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dichlorophenyl)ethylsulfonyl]pyridine?
The IUPAC name of 2-[1-(2,6-dichlorophenyl)ethylsulfonyl]pyridine (CID 56617000) is 2-[1-(2,6-dichlorophenyl)ethylsulfonyl]pyridine.
What is the SMILES notation for 2-[1-(2,6-dichlorophenyl)ethylsulfonyl]pyridine?
The canonical SMILES for 2-[1-(2,6-dichlorophenyl)ethylsulfonyl]pyridine is CC(c1c(Cl)cccc1Cl)S(=O)(=O)c1ccccn1.
What is the InChIKey of 2-[1-(2,6-dichlorophenyl)ethylsulfonyl]pyridine?
The InChIKey is CGWPITIVEDEJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2S/c1-9(13-10(14)5-4-6-11(13)15)19(17,18)12-7-2-3-8-16-12/h2-9H,1H3.
What are the key properties of 2-[1-(2,6-dichlorophenyl)ethylsulfonyl]pyridine?
2-[1-(2,6-dichlorophenyl)ethylsulfonyl]pyridine has a molecular weight of 316.21 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dichlorophenyl)ethylsulfonyl]pyridine is sourced from PubChem (CID 56617000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).