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

C14H15NO3S — CID 685523

IUPAC4-[2-(4-methoxyphenyl)sulfonylethyl]pyridine
SMILESCOc1ccc(S(=O)(=O)CCc2ccncc2)cc1
InChIInChI=1S/C14H15NO3S/c1-18-13-2-4-14(5-3-13)19(16,17)11-8-12-6-9-15-10-7-12/h2-7,9-10H,8,11H2,1H3
InChIKeyCQXCSIYTBKYKLK-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.11
Rot. Bonds5

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

4-[2-(4-methoxyphenyl)sulfonylethyl]pyridine (PubChem CID 685523) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)sulfonylethyl]pyridine.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)sulfonylethyl]pyridine
PubChem CID685523
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name4-[2-(4-methoxyphenyl)sulfonylethyl]pyridine
SMILESCOc1ccc(S(=O)(=O)CCc2ccncc2)cc1
InChIInChI=1S/C14H15NO3S/c1-18-13-2-4-14(5-3-13)19(16,17)11-8-12-6-9-15-10-7-12/h2-7,9-10H,8,11H2,1H3
InChIKeyCQXCSIYTBKYKLK-UHFFFAOYSA-N
XLogP2.11
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)sulfonylethyl]pyridine?
The IUPAC name of 4-[2-(4-methoxyphenyl)sulfonylethyl]pyridine (CID 685523) is 4-[2-(4-methoxyphenyl)sulfonylethyl]pyridine.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)sulfonylethyl]pyridine?
The canonical SMILES for 4-[2-(4-methoxyphenyl)sulfonylethyl]pyridine is COc1ccc(S(=O)(=O)CCc2ccncc2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)sulfonylethyl]pyridine?
The InChIKey is CQXCSIYTBKYKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-18-13-2-4-14(5-3-13)19(16,17)11-8-12-6-9-15-10-7-12/h2-7,9-10H,8,11H2,1H3.
What are the key properties of 4-[2-(4-methoxyphenyl)sulfonylethyl]pyridine?
4-[2-(4-methoxyphenyl)sulfonylethyl]pyridine has a molecular weight of 277.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)sulfonylethyl]pyridine is sourced from PubChem (CID 685523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).