6-pyrrolidin-1-ylpyridine-2-sulfonyl chloride

C9H11ClN2O2S — CID 117167915

IUPAC6-pyrrolidin-1-ylpyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(N2CCCC2)n1
InChIInChI=1S/C9H11ClN2O2S/c10-15(13,14)9-5-3-4-8(11-9)12-6-1-2-7-12/h3-5H,1-2,6-7H2
InChIKeyKTIXUXOLOAWHQW-UHFFFAOYSA-N
MW246.72 g/mol
LogP1.61
Rot. Bonds2

About 6-pyrrolidin-1-ylpyridine-2-sulfonyl chloride

6-pyrrolidin-1-ylpyridine-2-sulfonyl chloride (PubChem CID 117167915) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 6-pyrrolidin-1-ylpyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name6-pyrrolidin-1-ylpyridine-2-sulfonyl chloride
PubChem CID117167915
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Name6-pyrrolidin-1-ylpyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(N2CCCC2)n1
InChIInChI=1S/C9H11ClN2O2S/c10-15(13,14)9-5-3-4-8(11-9)12-6-1-2-7-12/h3-5H,1-2,6-7H2
InChIKeyKTIXUXOLOAWHQW-UHFFFAOYSA-N
XLogP1.61
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-ylpyridine-2-sulfonyl chloride?
The IUPAC name of 6-pyrrolidin-1-ylpyridine-2-sulfonyl chloride (CID 117167915) is 6-pyrrolidin-1-ylpyridine-2-sulfonyl chloride.
What is the SMILES notation for 6-pyrrolidin-1-ylpyridine-2-sulfonyl chloride?
The canonical SMILES for 6-pyrrolidin-1-ylpyridine-2-sulfonyl chloride is O=S(=O)(Cl)c1cccc(N2CCCC2)n1.
What is the InChIKey of 6-pyrrolidin-1-ylpyridine-2-sulfonyl chloride?
The InChIKey is KTIXUXOLOAWHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c10-15(13,14)9-5-3-4-8(11-9)12-6-1-2-7-12/h3-5H,1-2,6-7H2.
What are the key properties of 6-pyrrolidin-1-ylpyridine-2-sulfonyl chloride?
6-pyrrolidin-1-ylpyridine-2-sulfonyl chloride has a molecular weight of 246.72 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-ylpyridine-2-sulfonyl chloride is sourced from PubChem (CID 117167915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).