2-chloro-5-(2-cyclopentylpyrrolidin-1-yl)sulfonylpyridine

C14H19ClN2O2S — CID 47320753

IUPAC2-chloro-5-(2-cyclopentylpyrrolidin-1-yl)sulfonylpyridine
SMILESO=S(=O)(c1ccc(Cl)nc1)N1CCCC1C1CCCC1
InChIInChI=1S/C14H19ClN2O2S/c15-14-8-7-12(10-16-14)20(18,19)17-9-3-6-13(17)11-4-1-2-5-11/h7-8,10-11,13H,1-6,9H2
InChIKeyIWDSYRGQONEXJW-UHFFFAOYSA-N
MW314.84 g/mol
LogP3.08
Rot. Bonds3

About 2-chloro-5-(2-cyclopentylpyrrolidin-1-yl)sulfonylpyridine

2-chloro-5-(2-cyclopentylpyrrolidin-1-yl)sulfonylpyridine (PubChem CID 47320753) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 2-chloro-5-(2-cyclopentylpyrrolidin-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name2-chloro-5-(2-cyclopentylpyrrolidin-1-yl)sulfonylpyridine
PubChem CID47320753
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC Name2-chloro-5-(2-cyclopentylpyrrolidin-1-yl)sulfonylpyridine
SMILESO=S(=O)(c1ccc(Cl)nc1)N1CCCC1C1CCCC1
InChIInChI=1S/C14H19ClN2O2S/c15-14-8-7-12(10-16-14)20(18,19)17-9-3-6-13(17)11-4-1-2-5-11/h7-8,10-11,13H,1-6,9H2
InChIKeyIWDSYRGQONEXJW-UHFFFAOYSA-N
XLogP3.08
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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2-chloro-5-(2,3-dimethylpiperidin-1-yl)sulfonylpyridine
CID 55040373
[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol
CID 61409885
(2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile
CID 146541443
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-N-methylpyridin-2-amine
CID 65324662
1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide
CID 54941717
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)pyridine-2-carbothioamide
CID 114614547
(2S)-1-(4-chlorophenyl)sulfonyl-2-cyclopropylpiperidine
CID 70332287
[(2R,3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]-3-methylpiperidin-2-yl]methanol
CID 98794710
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-2-chloroaniline
CID 115329759
2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)sulfonylaniline
CID 115329975
1-(3-bromo-4-chlorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-cyclopentylpyrrolidin-1-yl)sulfonylpyridine?
The IUPAC name of 2-chloro-5-(2-cyclopentylpyrrolidin-1-yl)sulfonylpyridine (CID 47320753) is 2-chloro-5-(2-cyclopentylpyrrolidin-1-yl)sulfonylpyridine.
What is the SMILES notation for 2-chloro-5-(2-cyclopentylpyrrolidin-1-yl)sulfonylpyridine?
The canonical SMILES for 2-chloro-5-(2-cyclopentylpyrrolidin-1-yl)sulfonylpyridine is O=S(=O)(c1ccc(Cl)nc1)N1CCCC1C1CCCC1.
What is the InChIKey of 2-chloro-5-(2-cyclopentylpyrrolidin-1-yl)sulfonylpyridine?
The InChIKey is IWDSYRGQONEXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c15-14-8-7-12(10-16-14)20(18,19)17-9-3-6-13(17)11-4-1-2-5-11/h7-8,10-11,13H,1-6,9H2.
What are the key properties of 2-chloro-5-(2-cyclopentylpyrrolidin-1-yl)sulfonylpyridine?
2-chloro-5-(2-cyclopentylpyrrolidin-1-yl)sulfonylpyridine has a molecular weight of 314.84 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-cyclopentylpyrrolidin-1-yl)sulfonylpyridine is sourced from PubChem (CID 47320753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).