2-chloro-3-(3-propylpyrrolidin-1-yl)sulfonylpyridine

C12H17ClN2O2S — CID 113246633

IUPAC2-chloro-3-(3-propylpyrrolidin-1-yl)sulfonylpyridine
SMILESCCCC1CCN(S(=O)(=O)c2cccnc2Cl)C1
InChIInChI=1S/C12H17ClN2O2S/c1-2-4-10-6-8-15(9-10)18(16,17)11-5-3-7-14-12(11)13/h3,5,7,10H,2,4,6,8-9H2,1H3
InChIKeyGWTROVAFQYSBFC-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.55
Rot. Bonds4

About 2-chloro-3-(3-propylpyrrolidin-1-yl)sulfonylpyridine

2-chloro-3-(3-propylpyrrolidin-1-yl)sulfonylpyridine (PubChem CID 113246633) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 2-chloro-3-(3-propylpyrrolidin-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name2-chloro-3-(3-propylpyrrolidin-1-yl)sulfonylpyridine
PubChem CID113246633
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name2-chloro-3-(3-propylpyrrolidin-1-yl)sulfonylpyridine
SMILESCCCC1CCN(S(=O)(=O)c2cccnc2Cl)C1
InChIInChI=1S/C12H17ClN2O2S/c1-2-4-10-6-8-15(9-10)18(16,17)11-5-3-7-14-12(11)13/h3,5,7,10H,2,4,6,8-9H2,1H3
InChIKeyGWTROVAFQYSBFC-UHFFFAOYSA-N
XLogP2.55
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.55
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

1-[(2-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 62941378
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-pentan-2-ylpiperidine-4-carboxamide
CID 46512813
2-[1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol
CID 106594989
2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanol
CID 115745017
2-[(2-chloro-3-pyridinyl)sulfonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82855594
4-(3-propylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 113418711
2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanamine
CID 114802283
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-ethyl-N-(2-phenylethyl)piperidine-4-carboxamide
CID 55587245
1-[(2-chloro-3-pyridinyl)sulfonyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 61051712
1-[(2-chloro-3-pyridinyl)sulfonyl]-4,4-dimethylazepane
CID 65280982
5-(chloromethyl)-2-(3-propylpyrrolidin-1-yl)sulfonylpyridine
CID 113419404
5-(3-propylpiperidin-1-yl)sulfonylisoquinoline
CID 126780577

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(3-propylpyrrolidin-1-yl)sulfonylpyridine?
The IUPAC name of 2-chloro-3-(3-propylpyrrolidin-1-yl)sulfonylpyridine (CID 113246633) is 2-chloro-3-(3-propylpyrrolidin-1-yl)sulfonylpyridine.
What is the SMILES notation for 2-chloro-3-(3-propylpyrrolidin-1-yl)sulfonylpyridine?
The canonical SMILES for 2-chloro-3-(3-propylpyrrolidin-1-yl)sulfonylpyridine is CCCC1CCN(S(=O)(=O)c2cccnc2Cl)C1.
What is the InChIKey of 2-chloro-3-(3-propylpyrrolidin-1-yl)sulfonylpyridine?
The InChIKey is GWTROVAFQYSBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-2-4-10-6-8-15(9-10)18(16,17)11-5-3-7-14-12(11)13/h3,5,7,10H,2,4,6,8-9H2,1H3.
What are the key properties of 2-chloro-3-(3-propylpyrrolidin-1-yl)sulfonylpyridine?
2-chloro-3-(3-propylpyrrolidin-1-yl)sulfonylpyridine has a molecular weight of 288.80 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(3-propylpyrrolidin-1-yl)sulfonylpyridine is sourced from PubChem (CID 113246633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).