3-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]pyridine

C17H20N2O2S — CID 24525751

IUPAC3-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]pyridine
SMILESCCc1ccc(S(=O)(=O)N2CCCC2c2cccnc2)cc1
InChIInChI=1S/C17H20N2O2S/c1-2-14-7-9-16(10-8-14)22(20,21)19-12-4-6-17(19)15-5-3-11-18-13-15/h3,5,7-11,13,17H,2,4,6,12H2,1H3
InChIKeyLLJHBNFDWADWOV-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.17
Rot. Bonds4

About 3-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]pyridine

3-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]pyridine (PubChem CID 24525751) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 3-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]pyridine
PubChem CID24525751
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name3-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]pyridine
SMILESCCc1ccc(S(=O)(=O)N2CCCC2c2cccnc2)cc1
InChIInChI=1S/C17H20N2O2S/c1-2-14-7-9-16(10-8-14)22(20,21)19-12-4-6-17(19)15-5-3-11-18-13-15/h3,5,7-11,13,17H,2,4,6,12H2,1H3
InChIKeyLLJHBNFDWADWOV-UHFFFAOYSA-N
XLogP3.17
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728
3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine
CID 906684
(2R)-2-(4-chlorophenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine
CID 51856609
N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 659759
3-[1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 24525744
3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine
CID 42922078
5-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110871612
3-[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 24525742
3,5-dimethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,2-oxazole
CID 24525746
copper;3-(1-methylpyrrolidin-2-yl)pyridine;sulfate
CID 158251825
2-ethoxy-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 40774857
1-[4-(methylsulfonylmethyl)phenyl]sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763550

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]pyridine?
The IUPAC name of 3-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]pyridine (CID 24525751) is 3-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]pyridine is CCc1ccc(S(=O)(=O)N2CCCC2c2cccnc2)cc1.
What is the InChIKey of 3-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]pyridine?
The InChIKey is LLJHBNFDWADWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-2-14-7-9-16(10-8-14)22(20,21)19-12-4-6-17(19)15-5-3-11-18-13-15/h3,5,7-11,13,17H,2,4,6,12H2,1H3.
What are the key properties of 3-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]pyridine?
3-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]pyridine has a molecular weight of 316.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 24525751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).