2-chloro-5-pyrrolidin-1-ylsulfonylpyridine

C9H11ClN2O2S — CID 2433223

IUPAC2-chloro-5-pyrrolidin-1-ylsulfonylpyridine
SMILESO=S(=O)(c1ccc(Cl)nc1)N1CCCC1
InChIInChI=1S/C9H11ClN2O2S/c10-9-4-3-8(7-11-9)15(13,14)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
InChIKeyHBZKJCDPAUHBFB-UHFFFAOYSA-N
MW246.72 g/mol
LogP1.52
Rot. Bonds2

About 2-chloro-5-pyrrolidin-1-ylsulfonylpyridine

2-chloro-5-pyrrolidin-1-ylsulfonylpyridine (PubChem CID 2433223) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 2-chloro-5-pyrrolidin-1-ylsulfonylpyridine.

Molecular Properties

Compound Name2-chloro-5-pyrrolidin-1-ylsulfonylpyridine
PubChem CID2433223
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Name2-chloro-5-pyrrolidin-1-ylsulfonylpyridine
SMILESO=S(=O)(c1ccc(Cl)nc1)N1CCCC1
InChIInChI=1S/C9H11ClN2O2S/c10-9-4-3-8(7-11-9)15(13,14)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
InChIKeyHBZKJCDPAUHBFB-UHFFFAOYSA-N
XLogP1.52
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 51.52
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-pyrrolidin-1-ylsulfonylpyridine?
The IUPAC name of 2-chloro-5-pyrrolidin-1-ylsulfonylpyridine (CID 2433223) is 2-chloro-5-pyrrolidin-1-ylsulfonylpyridine.
What is the SMILES notation for 2-chloro-5-pyrrolidin-1-ylsulfonylpyridine?
The canonical SMILES for 2-chloro-5-pyrrolidin-1-ylsulfonylpyridine is O=S(=O)(c1ccc(Cl)nc1)N1CCCC1.
What is the InChIKey of 2-chloro-5-pyrrolidin-1-ylsulfonylpyridine?
The InChIKey is HBZKJCDPAUHBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c10-9-4-3-8(7-11-9)15(13,14)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2.
What are the key properties of 2-chloro-5-pyrrolidin-1-ylsulfonylpyridine?
2-chloro-5-pyrrolidin-1-ylsulfonylpyridine has a molecular weight of 246.72 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-pyrrolidin-1-ylsulfonylpyridine is sourced from PubChem (CID 2433223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).