4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine

C15H17NO3S — CID 3050823

IUPAC4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine
SMILESCCOc1ccc(S(=O)(=O)CCc2ccncc2)cc1
InChIInChI=1S/C15H17NO3S/c1-2-19-14-3-5-15(6-4-14)20(17,18)12-9-13-7-10-16-11-8-13/h3-8,10-11H,2,9,12H2,1H3
InChIKeyLMUQMAQMUHVQRY-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.50
Rot. Bonds6

About 4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine

4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine (PubChem CID 3050823) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine.

Molecular Properties

Compound Name4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine
PubChem CID3050823
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine
SMILESCCOc1ccc(S(=O)(=O)CCc2ccncc2)cc1
InChIInChI=1S/C15H17NO3S/c1-2-19-14-3-5-15(6-4-14)20(17,18)12-9-13-7-10-16-11-8-13/h3-8,10-11H,2,9,12H2,1H3
InChIKeyLMUQMAQMUHVQRY-UHFFFAOYSA-N
XLogP2.50
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-ethylphenyl)sulfonylethyl]pyridine;hydrochloride
CID 3050820
1-ethoxy-4-ethylsulfonylbenzene
CID 12846221
4-(2-ethylsulfonylethyl)pyridine
CID 59155282
4-ethoxy-N-(2-pyridin-4-ylethyl)aniline
CID 60719981
4-(2-pyridin-4-ylethoxy)benzenesulfonamide
CID 82910996
3-pyridin-4-ylpropyl 4-ethoxybenzoate
CID 134050749
3-(4-ethoxyphenyl)propane-1-sulfonyl chloride
CID 98790103
4-ethoxybenzenesulfonic acid
CID 7013020
1-[4-(2-phenylethylsulfonyl)phenyl]-4-pyridin-4-ylbutan-2-one
CID 158930163
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 6493165
5-[(4-ethoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione
CID 3148850
N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 25044131

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine?
The IUPAC name of 4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine (CID 3050823) is 4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine.
What is the SMILES notation for 4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine?
The canonical SMILES for 4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine is CCOc1ccc(S(=O)(=O)CCc2ccncc2)cc1.
What is the InChIKey of 4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine?
The InChIKey is LMUQMAQMUHVQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-2-19-14-3-5-15(6-4-14)20(17,18)12-9-13-7-10-16-11-8-13/h3-8,10-11H,2,9,12H2,1H3.
What are the key properties of 4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine?
4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine has a molecular weight of 291.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine is sourced from PubChem (CID 3050823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).