3-[(4-methylphenyl)sulfonylmethyl]pyridine

Name: 3-[(4-methylphenyl)sulfonylmethyl]pyridine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₃NO₂S — CID 14062684

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[(4-methylphenyl)sulfonylmethyl]pyridine

SMILESCc1ccc(S(=O)(=O)Cc2cccnc2)cc1

InChIInChI=1S/C13H13NO2S/c1-11-4-6-13(7-5-11)17(15,16)10-12-3-2-8-14-9-12/h2-9H,10H2,1H3

InChIKeyAWOCCKKXKZBJRA-UHFFFAOYSA-N

MW247.32 g/mol

LogP2.36

Rot. Bonds3

About 3-[(4-methylphenyl)sulfonylmethyl]pyridine

3-[(4-methylphenyl)sulfonylmethyl]pyridine (PubChem CID 14062684) has the molecular formula C₁₃H₁₃NO₂S and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfonylmethyl]pyridine.

Molecular Properties

Compound Name	3-[(4-methylphenyl)sulfonylmethyl]pyridine
PubChem CID	14062684
Molecular Formula	C₁₃H₁₃NO₂S
Molecular Weight	247.32 g/mol
Exact Mass	247.07
IUPAC Name	3-[(4-methylphenyl)sulfonylmethyl]pyridine
SMILES	Cc1ccc(S(=O)(=O)Cc2cccnc2)cc1
InChI	InChI=1S/C13H13NO2S/c1-11-4-6-13(7-5-11)17(15,16)10-12-3-2-8-14-9-12/h2-9H,10H2,1H3
InChIKey	AWOCCKKXKZBJRA-UHFFFAOYSA-N
XLogP	2.36
TPSA	47.03 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	247.32
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfonylmethyl]pyridine?

The IUPAC name of 3-[(4-methylphenyl)sulfonylmethyl]pyridine (CID 14062684) is 3-[(4-methylphenyl)sulfonylmethyl]pyridine.

What is the SMILES notation for 3-[(4-methylphenyl)sulfonylmethyl]pyridine?

The canonical SMILES for 3-[(4-methylphenyl)sulfonylmethyl]pyridine is Cc1ccc(S(=O)(=O)Cc2cccnc2)cc1.

What is the InChIKey of 3-[(4-methylphenyl)sulfonylmethyl]pyridine?

The InChIKey is AWOCCKKXKZBJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-11-4-6-13(7-5-11)17(15,16)10-12-3-2-8-14-9-12/h2-9H,10H2,1H3.

What are the key properties of 3-[(4-methylphenyl)sulfonylmethyl]pyridine?

3-[(4-methylphenyl)sulfonylmethyl]pyridine has a molecular weight of 247.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-methylphenyl)sulfonylmethyl]pyridine is sourced from PubChem (CID 14062684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 14062684 — identifiers, structure, computed properties (public domain)

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