2-pyrrolidin-1-ylpyridine-4-sulfonyl chloride

C9H11ClN2O2S — CID 117167857

IUPAC2-pyrrolidin-1-ylpyridine-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccnc(N2CCCC2)c1
InChIInChI=1S/C9H11ClN2O2S/c10-15(13,14)8-3-4-11-9(7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
InChIKeySBGBFDHLYZLEHH-UHFFFAOYSA-N
MW246.72 g/mol
LogP1.61
Rot. Bonds2

About 2-pyrrolidin-1-ylpyridine-4-sulfonyl chloride

2-pyrrolidin-1-ylpyridine-4-sulfonyl chloride (PubChem CID 117167857) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylpyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name2-pyrrolidin-1-ylpyridine-4-sulfonyl chloride
PubChem CID117167857
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Name2-pyrrolidin-1-ylpyridine-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccnc(N2CCCC2)c1
InChIInChI=1S/C9H11ClN2O2S/c10-15(13,14)8-3-4-11-9(7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
InChIKeySBGBFDHLYZLEHH-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 2-pyrrolidin-1-ylpyridine-4-sulfonyl chloride?
The IUPAC name of 2-pyrrolidin-1-ylpyridine-4-sulfonyl chloride (CID 117167857) is 2-pyrrolidin-1-ylpyridine-4-sulfonyl chloride.
What is the SMILES notation for 2-pyrrolidin-1-ylpyridine-4-sulfonyl chloride?
The canonical SMILES for 2-pyrrolidin-1-ylpyridine-4-sulfonyl chloride is O=S(=O)(Cl)c1ccnc(N2CCCC2)c1.
What is the InChIKey of 2-pyrrolidin-1-ylpyridine-4-sulfonyl chloride?
The InChIKey is SBGBFDHLYZLEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c10-15(13,14)8-3-4-11-9(7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2.
What are the key properties of 2-pyrrolidin-1-ylpyridine-4-sulfonyl chloride?
2-pyrrolidin-1-ylpyridine-4-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 2-pyrrolidin-1-ylpyridine-4-sulfonyl chloride is sourced from PubChem (CID 117167857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).