1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide

C8H8Cl2N4O3S — CID 168719537

IUPAC1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2nc(Cl)cc(Cl)n2)C1
InChIInChI=1S/C8H8Cl2N4O3S/c9-5-2-6(10)13-8(12-5)14-3-4(1-7(14)15)18(11,16)17/h2,4H,1,3H2,(H2,11,16,17)
InChIKeyJTFAGZSJZLHRJM-UHFFFAOYSA-N
MW311.15 g/mol
LogP0.18
Rot. Bonds2

About 1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide

1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168719537) has the molecular formula C8H8Cl2N4O3S and a molecular weight of 311.15 g/mol. Its IUPAC name is 1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168719537
Molecular FormulaC8H8Cl2N4O3S
Molecular Weight311.15 g/mol
Exact Mass309.97
IUPAC Name1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2nc(Cl)cc(Cl)n2)C1
InChIInChI=1S/C8H8Cl2N4O3S/c9-5-2-6(10)13-8(12-5)14-3-4(1-7(14)15)18(11,16)17/h2,4H,1,3H2,(H2,11,16,17)
InChIKeyJTFAGZSJZLHRJM-UHFFFAOYSA-N
XLogP0.18
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4,6-dichloropyrimidin-2-yl)-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

1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712929
1-(6-chloro-2-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717981
4-amino-1-(4,6-dichloropyrimidin-2-yl)pyrrolidin-2-one
CID 168701271
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-(4,6-dimethoxy-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717516
1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719556
1-(6-chloro-2-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717778
1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717979
1-(5-bromo-2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718689
1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717575
1-(5-amino-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719034

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide (CID 168719537) is 1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2nc(Cl)cc(Cl)n2)C1.
What is the InChIKey of 1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is JTFAGZSJZLHRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N4O3S/c9-5-2-6(10)13-8(12-5)14-3-4(1-7(14)15)18(11,16)17/h2,4H,1,3H2,(H2,11,16,17).
What are the key properties of 1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide?
1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 311.15 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168719537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).