5-(chloromethyl)-2-(3-propylpyrrolidin-1-yl)sulfonylpyridine

C13H19ClN2O2S — CID 113419404

IUPAC5-(chloromethyl)-2-(3-propylpyrrolidin-1-yl)sulfonylpyridine
SMILESCCCC1CCN(S(=O)(=O)c2ccc(CCl)cn2)C1
InChIInChI=1S/C13H19ClN2O2S/c1-2-3-11-6-7-16(10-11)19(17,18)13-5-4-12(8-14)9-15-13/h4-5,9,11H,2-3,6-8,10H2,1H3
InChIKeyZENNKGDXWVGONR-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.63
Rot. Bonds5

About 5-(chloromethyl)-2-(3-propylpyrrolidin-1-yl)sulfonylpyridine

5-(chloromethyl)-2-(3-propylpyrrolidin-1-yl)sulfonylpyridine (PubChem CID 113419404) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(3-propylpyrrolidin-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2-(3-propylpyrrolidin-1-yl)sulfonylpyridine
PubChem CID113419404
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name5-(chloromethyl)-2-(3-propylpyrrolidin-1-yl)sulfonylpyridine
SMILESCCCC1CCN(S(=O)(=O)c2ccc(CCl)cn2)C1
InChIInChI=1S/C13H19ClN2O2S/c1-2-3-11-6-7-16(10-11)19(17,18)13-5-4-12(8-14)9-15-13/h4-5,9,11H,2-3,6-8,10H2,1H3
InChIKeyZENNKGDXWVGONR-UHFFFAOYSA-N
XLogP2.63
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(3-propylpyrrolidin-1-yl)sulfonylpyridine?
The IUPAC name of 5-(chloromethyl)-2-(3-propylpyrrolidin-1-yl)sulfonylpyridine (CID 113419404) is 5-(chloromethyl)-2-(3-propylpyrrolidin-1-yl)sulfonylpyridine.
What is the SMILES notation for 5-(chloromethyl)-2-(3-propylpyrrolidin-1-yl)sulfonylpyridine?
The canonical SMILES for 5-(chloromethyl)-2-(3-propylpyrrolidin-1-yl)sulfonylpyridine is CCCC1CCN(S(=O)(=O)c2ccc(CCl)cn2)C1.
What is the InChIKey of 5-(chloromethyl)-2-(3-propylpyrrolidin-1-yl)sulfonylpyridine?
The InChIKey is ZENNKGDXWVGONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-2-3-11-6-7-16(10-11)19(17,18)13-5-4-12(8-14)9-15-13/h4-5,9,11H,2-3,6-8,10H2,1H3.
What are the key properties of 5-(chloromethyl)-2-(3-propylpyrrolidin-1-yl)sulfonylpyridine?
5-(chloromethyl)-2-(3-propylpyrrolidin-1-yl)sulfonylpyridine has a molecular weight of 302.83 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(3-propylpyrrolidin-1-yl)sulfonylpyridine is sourced from PubChem (CID 113419404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).