3-[1-(4-ethenylphenyl)sulfonylpyrrolidin-3-yl]pyridine

C17H18N2O2S — CID 166380312

IUPAC3-[1-(4-ethenylphenyl)sulfonylpyrrolidin-3-yl]pyridine
SMILESC=Cc1ccc(S(=O)(=O)N2CCC(c3cccnc3)C2)cc1
InChIInChI=1S/C17H18N2O2S/c1-2-14-5-7-17(8-6-14)22(20,21)19-11-9-16(13-19)15-4-3-10-18-12-15/h2-8,10,12,16H,1,9,11,13H2
InChIKeyNUJWNZQGYOZEOE-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.90
Rot. Bonds4

About 3-[1-(4-ethenylphenyl)sulfonylpyrrolidin-3-yl]pyridine

3-[1-(4-ethenylphenyl)sulfonylpyrrolidin-3-yl]pyridine (PubChem CID 166380312) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-[1-(4-ethenylphenyl)sulfonylpyrrolidin-3-yl]pyridine.

Molecular Properties

Compound Name3-[1-(4-ethenylphenyl)sulfonylpyrrolidin-3-yl]pyridine
PubChem CID166380312
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name3-[1-(4-ethenylphenyl)sulfonylpyrrolidin-3-yl]pyridine
SMILESC=Cc1ccc(S(=O)(=O)N2CCC(c3cccnc3)C2)cc1
InChIInChI=1S/C17H18N2O2S/c1-2-14-5-7-17(8-6-14)22(20,21)19-11-9-16(13-19)15-4-3-10-18-12-15/h2-8,10,12,16H,1,9,11,13H2
InChIKeyNUJWNZQGYOZEOE-UHFFFAOYSA-N
XLogP2.90
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine
CID 175864648
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2-[(3S)-1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92570977
(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride
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2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 110236000
1-[4-(3-phenylpyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 51055236
4-methyl-2-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyrimidine
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3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 75495315
4-(4-ethenylphenyl)sulfonylmorpholine
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3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
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CID 95828952

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethenylphenyl)sulfonylpyrrolidin-3-yl]pyridine?
The IUPAC name of 3-[1-(4-ethenylphenyl)sulfonylpyrrolidin-3-yl]pyridine (CID 166380312) is 3-[1-(4-ethenylphenyl)sulfonylpyrrolidin-3-yl]pyridine.
What is the SMILES notation for 3-[1-(4-ethenylphenyl)sulfonylpyrrolidin-3-yl]pyridine?
The canonical SMILES for 3-[1-(4-ethenylphenyl)sulfonylpyrrolidin-3-yl]pyridine is C=Cc1ccc(S(=O)(=O)N2CCC(c3cccnc3)C2)cc1.
What is the InChIKey of 3-[1-(4-ethenylphenyl)sulfonylpyrrolidin-3-yl]pyridine?
The InChIKey is NUJWNZQGYOZEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-2-14-5-7-17(8-6-14)22(20,21)19-11-9-16(13-19)15-4-3-10-18-12-15/h2-8,10,12,16H,1,9,11,13H2.
What are the key properties of 3-[1-(4-ethenylphenyl)sulfonylpyrrolidin-3-yl]pyridine?
3-[1-(4-ethenylphenyl)sulfonylpyrrolidin-3-yl]pyridine has a molecular weight of 314.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethenylphenyl)sulfonylpyrrolidin-3-yl]pyridine is sourced from PubChem (CID 166380312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).