1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide

C9H10ClN3O3S — CID 168719282

IUPAC1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ccnc(Cl)c2)C1
InChIInChI=1S/C9H10ClN3O3S/c10-8-3-6(1-2-12-8)13-5-7(4-9(13)14)17(11,15)16/h1-3,7H,4-5H2,(H2,11,15,16)
InChIKeyHKFYSCNPBZFCJQ-UHFFFAOYSA-N
MW275.72 g/mol
LogP0.13
Rot. Bonds2

About 1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide

1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168719282) has the molecular formula C9H10ClN3O3S and a molecular weight of 275.72 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168719282
Molecular FormulaC9H10ClN3O3S
Molecular Weight275.72 g/mol
Exact Mass275.01
IUPAC Name1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ccnc(Cl)c2)C1
InChIInChI=1S/C9H10ClN3O3S/c10-8-3-6(1-2-12-8)13-5-7(4-9(13)14)17(11,15)16/h1-3,7H,4-5H2,(H2,11,15,16)
InChIKeyHKFYSCNPBZFCJQ-UHFFFAOYSA-N
XLogP0.13
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.72
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-oxo-1-pyridin-4-ylpyrrolidine-3-sulfonamide
CID 168719467
1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719537
1-(5-bromo-2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718689
1-(2-cyano-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712748
1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717575
1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718706
1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717379
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717870
5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide
CID 168719616
1-(6-chloro-2-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717981
1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718709
1-[4-fluoro-3-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718735

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide (CID 168719282) is 1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2ccnc(Cl)c2)C1.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is HKFYSCNPBZFCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O3S/c10-8-3-6(1-2-12-8)13-5-7(4-9(13)14)17(11,15)16/h1-3,7H,4-5H2,(H2,11,15,16).
What are the key properties of 1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide?
1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 275.72 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168719282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).