2-[2-(2,4-dimethylphenyl)sulfonylethyl]pyridine;hydrochloride

C15H18ClNO2S — CID 3050833

IUPAC2-[2-(2,4-dimethylphenyl)sulfonylethyl]pyridine;hydrochloride
SMILESCc1ccc(S(=O)(=O)CCc2ccccn2)c(C)c1.Cl
InChIInChI=1S/C15H17NO2S.ClH/c1-12-6-7-15(13(2)11-12)19(17,18)10-8-14-5-3-4-9-16-14;/h3-7,9,11H,8,10H2,1-2H3;1H
InChIKeyOLZXFUDWQATLFM-UHFFFAOYSA-N
MW311.83 g/mol
LogP3.14
Rot. Bonds4

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

2-[2-(2,4-dimethylphenyl)sulfonylethyl]pyridine;hydrochloride (PubChem CID 3050833) has the molecular formula C15H18ClNO2S and a molecular weight of 311.83 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylphenyl)sulfonylethyl]pyridine;hydrochloride.

Molecular Properties

Compound Name2-[2-(2,4-dimethylphenyl)sulfonylethyl]pyridine;hydrochloride
PubChem CID3050833
Molecular FormulaC15H18ClNO2S
Molecular Weight311.83 g/mol
Exact Mass311.07
IUPAC Name2-[2-(2,4-dimethylphenyl)sulfonylethyl]pyridine;hydrochloride
SMILESCc1ccc(S(=O)(=O)CCc2ccccn2)c(C)c1.Cl
InChIInChI=1S/C15H17NO2S.ClH/c1-12-6-7-15(13(2)11-12)19(17,18)10-8-14-5-3-4-9-16-14;/h3-7,9,11H,8,10H2,1-2H3;1H
InChIKeyOLZXFUDWQATLFM-UHFFFAOYSA-N
XLogP3.14
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylphenyl)sulfonylethyl]pyridine;hydrochloride?
The IUPAC name of 2-[2-(2,4-dimethylphenyl)sulfonylethyl]pyridine;hydrochloride (CID 3050833) is 2-[2-(2,4-dimethylphenyl)sulfonylethyl]pyridine;hydrochloride.
What is the SMILES notation for 2-[2-(2,4-dimethylphenyl)sulfonylethyl]pyridine;hydrochloride?
The canonical SMILES for 2-[2-(2,4-dimethylphenyl)sulfonylethyl]pyridine;hydrochloride is Cc1ccc(S(=O)(=O)CCc2ccccn2)c(C)c1.Cl.
What is the InChIKey of 2-[2-(2,4-dimethylphenyl)sulfonylethyl]pyridine;hydrochloride?
The InChIKey is OLZXFUDWQATLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S.ClH/c1-12-6-7-15(13(2)11-12)19(17,18)10-8-14-5-3-4-9-16-14;/h3-7,9,11H,8,10H2,1-2H3;1H.
What are the key properties of 2-[2-(2,4-dimethylphenyl)sulfonylethyl]pyridine;hydrochloride?
2-[2-(2,4-dimethylphenyl)sulfonylethyl]pyridine;hydrochloride has a molecular weight of 311.83 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylphenyl)sulfonylethyl]pyridine;hydrochloride is sourced from PubChem (CID 3050833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).