4-[2-(benzenesulfonyl)ethyl]pyridine

C13H13NO2S — CID 687324

IUPAC4-[2-(benzenesulfonyl)ethyl]pyridine
SMILESO=S(=O)(CCc1ccncc1)c1ccccc1
InChIInChI=1S/C13H13NO2S/c15-17(16,13-4-2-1-3-5-13)11-8-12-6-9-14-10-7-12/h1-7,9-10H,8,11H2
InChIKeyRDYRANKGZNQOQA-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.10
Rot. Bonds4

About 4-[2-(benzenesulfonyl)ethyl]pyridine

4-[2-(benzenesulfonyl)ethyl]pyridine (PubChem CID 687324) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-[2-(benzenesulfonyl)ethyl]pyridine.

Molecular Properties

Compound Name4-[2-(benzenesulfonyl)ethyl]pyridine
PubChem CID687324
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name4-[2-(benzenesulfonyl)ethyl]pyridine
SMILESO=S(=O)(CCc1ccncc1)c1ccccc1
InChIInChI=1S/C13H13NO2S/c15-17(16,13-4-2-1-3-5-13)11-8-12-6-9-14-10-7-12/h1-7,9-10H,8,11H2
InChIKeyRDYRANKGZNQOQA-UHFFFAOYSA-N
XLogP2.10
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzenesulfonyl)ethyl]pyridine?
The IUPAC name of 4-[2-(benzenesulfonyl)ethyl]pyridine (CID 687324) is 4-[2-(benzenesulfonyl)ethyl]pyridine.
What is the SMILES notation for 4-[2-(benzenesulfonyl)ethyl]pyridine?
The canonical SMILES for 4-[2-(benzenesulfonyl)ethyl]pyridine is O=S(=O)(CCc1ccncc1)c1ccccc1.
What is the InChIKey of 4-[2-(benzenesulfonyl)ethyl]pyridine?
The InChIKey is RDYRANKGZNQOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c15-17(16,13-4-2-1-3-5-13)11-8-12-6-9-14-10-7-12/h1-7,9-10H,8,11H2.
What are the key properties of 4-[2-(benzenesulfonyl)ethyl]pyridine?
4-[2-(benzenesulfonyl)ethyl]pyridine has a molecular weight of 247.32 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzenesulfonyl)ethyl]pyridine is sourced from PubChem (CID 687324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).