2-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine

C14H20ClN3O2S — CID 63169095

IUPAC2-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine
SMILESO=S(=O)(c1ccnc(Cl)c1)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C14H20ClN3O2S/c15-14-10-13(4-6-16-14)21(19,20)18-9-5-12(11-18)17-7-2-1-3-8-17/h4,6,10,12H,1-3,5,7-9,11H2
InChIKeyTXTAQTDIDDZBGA-UHFFFAOYSA-N
MW329.85 g/mol
LogP1.98
Rot. Bonds3

About 2-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine

2-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine (PubChem CID 63169095) has the molecular formula C14H20ClN3O2S and a molecular weight of 329.85 g/mol. Its IUPAC name is 2-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name2-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine
PubChem CID63169095
Molecular FormulaC14H20ClN3O2S
Molecular Weight329.85 g/mol
Exact Mass329.10
IUPAC Name2-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine
SMILESO=S(=O)(c1ccnc(Cl)c1)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C14H20ClN3O2S/c15-14-10-13(4-6-16-14)21(19,20)18-9-5-12(11-18)17-7-2-1-3-8-17/h4,6,10,12H,1-3,5,7-9,11H2
InChIKeyTXTAQTDIDDZBGA-UHFFFAOYSA-N
XLogP1.98
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloro-4-pyridinyl)sulfonyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79170156
(3R)-1-[(2-chloro-4-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 107877670
1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-3-carboxamide
CID 54895620
2-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylaniline
CID 115330068
2-chloro-4-(3-methoxypiperidin-1-yl)sulfonylpyridine
CID 102957078
1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine
CID 63169006
2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridine
CID 79183789
4-[(2-chloro-4-pyridinyl)sulfonyl]piperazine-1-sulfonamide
CID 61045619
2-bromo-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylaniline
CID 115329305
1-(4-bromo-3-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine
CID 103697553
3-bromo-5-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine
CID 63175235
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-ethylpyridin-2-amine
CID 79933811

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine?
The IUPAC name of 2-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine (CID 63169095) is 2-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine.
What is the SMILES notation for 2-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine?
The canonical SMILES for 2-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine is O=S(=O)(c1ccnc(Cl)c1)N1CCC(N2CCCCC2)C1.
What is the InChIKey of 2-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine?
The InChIKey is TXTAQTDIDDZBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2S/c15-14-10-13(4-6-16-14)21(19,20)18-9-5-12(11-18)17-7-2-1-3-8-17/h4,6,10,12H,1-3,5,7-9,11H2.
What are the key properties of 2-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine?
2-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine has a molecular weight of 329.85 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine is sourced from PubChem (CID 63169095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).