5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide

C9H11N3O3S — CID 168719616

IUPAC5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ccccn2)C1
InChIInChI=1S/C9H11N3O3S/c10-16(14,15)7-5-9(13)12(6-7)8-3-1-2-4-11-8/h1-4,7H,5-6H2,(H2,10,14,15)
InChIKeyIAEKUACXZOSMHF-UHFFFAOYSA-N
MW241.27 g/mol
LogP-0.52
Rot. Bonds2

About 5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide

5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide (PubChem CID 168719616) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide
PubChem CID168719616
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ccccn2)C1
InChIInChI=1S/C9H11N3O3S/c10-16(14,15)7-5-9(13)12(6-7)8-3-1-2-4-11-8/h1-4,7H,5-6H2,(H2,10,14,15)
InChIKeyIAEKUACXZOSMHF-UHFFFAOYSA-N
XLogP-0.52
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-pyridin-2-ylpyrrolidin-2-one
CID 168690022
6-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 168719374
5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonamide
CID 168719368
1-(6-cyano-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719366
5-oxo-1-pyridin-4-ylpyrrolidine-3-sulfonamide
CID 168719467
5-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidine-3-sulfonamide
CID 168719114
1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719282
5-oxo-1-(1,3,5-triazin-2-yl)pyrrolidine-3-sulfonamide
CID 168719634
1-(5-iodo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717618
1-(2-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718987
1-(6-chloro-2-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717981
5-oxo-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidine-3-sulfonamide
CID 168719209

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide?
The IUPAC name of 5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide (CID 168719616) is 5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide.
What is the SMILES notation for 5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide?
The canonical SMILES for 5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2ccccn2)C1.
What is the InChIKey of 5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide?
The InChIKey is IAEKUACXZOSMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c10-16(14,15)7-5-9(13)12(6-7)8-3-1-2-4-11-8/h1-4,7H,5-6H2,(H2,10,14,15).
What are the key properties of 5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide?
5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide has a molecular weight of 241.27 g/mol, XLogP of -0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 168719616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).