4-(benzenesulfonylmethyl)-3-ethylpyridine

C14H15NO2S — CID 10422775

IUPAC4-(benzenesulfonylmethyl)-3-ethylpyridine
SMILESCCc1cnccc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H15NO2S/c1-2-12-10-15-9-8-13(12)11-18(16,17)14-6-4-3-5-7-14/h3-10H,2,11H2,1H3
InChIKeyCEXURNQRTHBFON-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.62
Rot. Bonds4

About 4-(benzenesulfonylmethyl)-3-ethylpyridine

4-(benzenesulfonylmethyl)-3-ethylpyridine (PubChem CID 10422775) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-(benzenesulfonylmethyl)-3-ethylpyridine.

Molecular Properties

Compound Name4-(benzenesulfonylmethyl)-3-ethylpyridine
PubChem CID10422775
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name4-(benzenesulfonylmethyl)-3-ethylpyridine
SMILESCCc1cnccc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H15NO2S/c1-2-12-10-15-9-8-13(12)11-18(16,17)14-6-4-3-5-7-14/h3-10H,2,11H2,1H3
InChIKeyCEXURNQRTHBFON-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonylmethyl)-3-ethylpyridine?
The IUPAC name of 4-(benzenesulfonylmethyl)-3-ethylpyridine (CID 10422775) is 4-(benzenesulfonylmethyl)-3-ethylpyridine.
What is the SMILES notation for 4-(benzenesulfonylmethyl)-3-ethylpyridine?
The canonical SMILES for 4-(benzenesulfonylmethyl)-3-ethylpyridine is CCc1cnccc1CS(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonylmethyl)-3-ethylpyridine?
The InChIKey is CEXURNQRTHBFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-2-12-10-15-9-8-13(12)11-18(16,17)14-6-4-3-5-7-14/h3-10H,2,11H2,1H3.
What are the key properties of 4-(benzenesulfonylmethyl)-3-ethylpyridine?
4-(benzenesulfonylmethyl)-3-ethylpyridine has a molecular weight of 261.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonylmethyl)-3-ethylpyridine is sourced from PubChem (CID 10422775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).