4-[2-(4-ethylphenyl)sulfonylethyl]pyridine;hydrochloride

C15H18ClNO2S — CID 3050820

IUPAC4-[2-(4-ethylphenyl)sulfonylethyl]pyridine;hydrochloride
SMILESCCc1ccc(S(=O)(=O)CCc2ccncc2)cc1.Cl
InChIInChI=1S/C15H17NO2S.ClH/c1-2-13-3-5-15(6-4-13)19(17,18)12-9-14-7-10-16-11-8-14;/h3-8,10-11H,2,9,12H2,1H3;1H
InChIKeyNTVWSIDSDPCKHQ-UHFFFAOYSA-N
MW311.83 g/mol
LogP3.08
Rot. Bonds5

About 4-[2-(4-ethylphenyl)sulfonylethyl]pyridine;hydrochloride

4-[2-(4-ethylphenyl)sulfonylethyl]pyridine;hydrochloride (PubChem CID 3050820) has the molecular formula C15H18ClNO2S and a molecular weight of 311.83 g/mol. Its IUPAC name is 4-[2-(4-ethylphenyl)sulfonylethyl]pyridine;hydrochloride.

Molecular Properties

Compound Name4-[2-(4-ethylphenyl)sulfonylethyl]pyridine;hydrochloride
PubChem CID3050820
Molecular FormulaC15H18ClNO2S
Molecular Weight311.83 g/mol
Exact Mass311.07
IUPAC Name4-[2-(4-ethylphenyl)sulfonylethyl]pyridine;hydrochloride
SMILESCCc1ccc(S(=O)(=O)CCc2ccncc2)cc1.Cl
InChIInChI=1S/C15H17NO2S.ClH/c1-2-13-3-5-15(6-4-13)19(17,18)12-9-14-7-10-16-11-8-14;/h3-8,10-11H,2,9,12H2,1H3;1H
InChIKeyNTVWSIDSDPCKHQ-UHFFFAOYSA-N
XLogP3.08
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine
CID 3050823
4-(2-ethylsulfonylethyl)pyridine
CID 59155282
1-[4-(2-phenylethylsulfonyl)phenyl]-4-pyridin-4-ylbutan-2-one
CID 158930163
3-(4-ethylphenyl)sulfonylpropanoate
CID 7425007
ethane;4-ethylpyridine
CID 142005045
1-ethyl-4-octylsulfonylbenzene
CID 123657292
4-[2-(4-methylphenyl)sulfonylethyl]phenol
CID 141218535
ethane;4-ethylpyridine;methanol
CID 143096814
ethanol;4-ethylpyridine
CID 174816615
N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 54943545
1-dodecyl-4-tetradecylsulfonylbenzene
CID 173458099
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethylphenyl)sulfonylethyl]pyridine;hydrochloride?
The IUPAC name of 4-[2-(4-ethylphenyl)sulfonylethyl]pyridine;hydrochloride (CID 3050820) is 4-[2-(4-ethylphenyl)sulfonylethyl]pyridine;hydrochloride.
What is the SMILES notation for 4-[2-(4-ethylphenyl)sulfonylethyl]pyridine;hydrochloride?
The canonical SMILES for 4-[2-(4-ethylphenyl)sulfonylethyl]pyridine;hydrochloride is CCc1ccc(S(=O)(=O)CCc2ccncc2)cc1.Cl.
What is the InChIKey of 4-[2-(4-ethylphenyl)sulfonylethyl]pyridine;hydrochloride?
The InChIKey is NTVWSIDSDPCKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S.ClH/c1-2-13-3-5-15(6-4-13)19(17,18)12-9-14-7-10-16-11-8-14;/h3-8,10-11H,2,9,12H2,1H3;1H.
What are the key properties of 4-[2-(4-ethylphenyl)sulfonylethyl]pyridine;hydrochloride?
4-[2-(4-ethylphenyl)sulfonylethyl]pyridine;hydrochloride has a molecular weight of 311.83 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethylphenyl)sulfonylethyl]pyridine;hydrochloride is sourced from PubChem (CID 3050820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).