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

C14H15NO2S — CID 571666

IUPAC4-[2-(4-methylphenyl)sulfonylethyl]pyridine
SMILESCc1ccc(S(=O)(=O)CCc2ccncc2)cc1
InChIInChI=1S/C14H15NO2S/c1-12-2-4-14(5-3-12)18(16,17)11-8-13-6-9-15-10-7-13/h2-7,9-10H,8,11H2,1H3
InChIKeyHFDOJZZDMPQLMZ-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.41
Rot. Bonds4

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

4-[2-(4-methylphenyl)sulfonylethyl]pyridine (PubChem CID 571666) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)sulfonylethyl]pyridine.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)sulfonylethyl]pyridine
PubChem CID571666
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name4-[2-(4-methylphenyl)sulfonylethyl]pyridine
SMILESCc1ccc(S(=O)(=O)CCc2ccncc2)cc1
InChIInChI=1S/C14H15NO2S/c1-12-2-4-14(5-3-12)18(16,17)11-8-13-6-9-15-10-7-13/h2-7,9-10H,8,11H2,1H3
InChIKeyHFDOJZZDMPQLMZ-UHFFFAOYSA-N
XLogP2.41
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)sulfonylethyl]pyridine?
The IUPAC name of 4-[2-(4-methylphenyl)sulfonylethyl]pyridine (CID 571666) is 4-[2-(4-methylphenyl)sulfonylethyl]pyridine.
What is the SMILES notation for 4-[2-(4-methylphenyl)sulfonylethyl]pyridine?
The canonical SMILES for 4-[2-(4-methylphenyl)sulfonylethyl]pyridine is Cc1ccc(S(=O)(=O)CCc2ccncc2)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)sulfonylethyl]pyridine?
The InChIKey is HFDOJZZDMPQLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-12-2-4-14(5-3-12)18(16,17)11-8-13-6-9-15-10-7-13/h2-7,9-10H,8,11H2,1H3.
What are the key properties of 4-[2-(4-methylphenyl)sulfonylethyl]pyridine?
4-[2-(4-methylphenyl)sulfonylethyl]pyridine has a molecular weight of 261.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)sulfonylethyl]pyridine is sourced from PubChem (CID 571666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).