4-[2-(benzenesulfonyl)ethyl]pyridine;hydrochloride

C13H14ClNO2S — CID 3050819

IUPAC4-[2-(benzenesulfonyl)ethyl]pyridine;hydrochloride
SMILESCl.O=S(=O)(CCc1ccncc1)c1ccccc1
InChIInChI=1S/C13H13NO2S.ClH/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;1H
InChIKeyJLSHWZOLEAMXMG-UHFFFAOYSA-N
MW283.78 g/mol
LogP2.52
Rot. Bonds4

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

4-[2-(benzenesulfonyl)ethyl]pyridine;hydrochloride (PubChem CID 3050819) has the molecular formula C13H14ClNO2S and a molecular weight of 283.78 g/mol. Its IUPAC name is 4-[2-(benzenesulfonyl)ethyl]pyridine;hydrochloride.

Molecular Properties

Compound Name4-[2-(benzenesulfonyl)ethyl]pyridine;hydrochloride
PubChem CID3050819
Molecular FormulaC13H14ClNO2S
Molecular Weight283.78 g/mol
Exact Mass283.04
IUPAC Name4-[2-(benzenesulfonyl)ethyl]pyridine;hydrochloride
SMILESCl.O=S(=O)(CCc1ccncc1)c1ccccc1
InChIInChI=1S/C13H13NO2S.ClH/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;1H
InChIKeyJLSHWZOLEAMXMG-UHFFFAOYSA-N
XLogP2.52
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.52
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;hydrochloride?
The IUPAC name of 4-[2-(benzenesulfonyl)ethyl]pyridine;hydrochloride (CID 3050819) is 4-[2-(benzenesulfonyl)ethyl]pyridine;hydrochloride.
What is the SMILES notation for 4-[2-(benzenesulfonyl)ethyl]pyridine;hydrochloride?
The canonical SMILES for 4-[2-(benzenesulfonyl)ethyl]pyridine;hydrochloride is Cl.O=S(=O)(CCc1ccncc1)c1ccccc1.
What is the InChIKey of 4-[2-(benzenesulfonyl)ethyl]pyridine;hydrochloride?
The InChIKey is JLSHWZOLEAMXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S.ClH/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;1H.
What are the key properties of 4-[2-(benzenesulfonyl)ethyl]pyridine;hydrochloride?
4-[2-(benzenesulfonyl)ethyl]pyridine;hydrochloride has a molecular weight of 283.78 g/mol, XLogP of 2.52, 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;hydrochloride is sourced from PubChem (CID 3050819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).