1-(5-iodo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide

C10H12IN3O3S — CID 168717618

IUPAC1-(5-iodo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCc1cc(N2CC(S(N)(=O)=O)CC2=O)ncc1I
InChIInChI=1S/C10H12IN3O3S/c1-6-2-9(13-4-8(6)11)14-5-7(3-10(14)15)18(12,16)17/h2,4,7H,3,5H2,1H3,(H2,12,16,17)
InChIKeyPUVGYXCTDRUSCQ-UHFFFAOYSA-N
MW381.20 g/mol
LogP0.39
Rot. Bonds2

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

1-(5-iodo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717618) has the molecular formula C10H12IN3O3S and a molecular weight of 381.20 g/mol. Its IUPAC name is 1-(5-iodo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(5-iodo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717618
Molecular FormulaC10H12IN3O3S
Molecular Weight381.20 g/mol
Exact Mass380.96
IUPAC Name1-(5-iodo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCc1cc(N2CC(S(N)(=O)=O)CC2=O)ncc1I
InChIInChI=1S/C10H12IN3O3S/c1-6-2-9(13-4-8(6)11)14-5-7(3-10(14)15)18(12,16)17/h2,4,7H,3,5H2,1H3,(H2,12,16,17)
InChIKeyPUVGYXCTDRUSCQ-UHFFFAOYSA-N
XLogP0.39
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.20
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(5-iodo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-(5-iodo-4-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168699714
1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717881
1-(6-chloro-2-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717981
1-(2-bromo-5-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717714
1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717979
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717870
5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide
CID 168719616
1-(4-hydroxy-2,6-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717885
1-(3-amino-2,4,6-trimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717612
5-oxo-1-(1,3,5-triazin-2-yl)pyrrolidine-3-sulfonamide
CID 168719634
1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717575
1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717594

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(5-iodo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide (CID 168717618) is 1-(5-iodo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(5-iodo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(5-iodo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide is Cc1cc(N2CC(S(N)(=O)=O)CC2=O)ncc1I.
What is the InChIKey of 1-(5-iodo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is PUVGYXCTDRUSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3O3S/c1-6-2-9(13-4-8(6)11)14-5-7(3-10(14)15)18(12,16)17/h2,4,7H,3,5H2,1H3,(H2,12,16,17).
What are the key properties of 1-(5-iodo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide?
1-(5-iodo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 381.20 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).