1-(3,5-dichlorophenyl)-3-ethylsulfinylpyrrolidine-2,5-dione

C12H11Cl2NO3S — CID 21453261

IUPAC1-(3,5-dichlorophenyl)-3-ethylsulfinylpyrrolidine-2,5-dione
SMILESCCS(=O)C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C12H11Cl2NO3S/c1-2-19(18)10-6-11(16)15(12(10)17)9-4-7(13)3-8(14)5-9/h3-5,10H,2,6H2,1H3
InChIKeyLGUQLCNEEQVETG-UHFFFAOYSA-N
MW320.20 g/mol
LogP2.39
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-3-ethylsulfinylpyrrolidine-2,5-dione

1-(3,5-dichlorophenyl)-3-ethylsulfinylpyrrolidine-2,5-dione (PubChem CID 21453261) has the molecular formula C12H11Cl2NO3S and a molecular weight of 320.20 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-ethylsulfinylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-ethylsulfinylpyrrolidine-2,5-dione
PubChem CID21453261
Molecular FormulaC12H11Cl2NO3S
Molecular Weight320.20 g/mol
Exact Mass318.98
IUPAC Name1-(3,5-dichlorophenyl)-3-ethylsulfinylpyrrolidine-2,5-dione
SMILESCCS(=O)C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C12H11Cl2NO3S/c1-2-19(18)10-6-11(16)15(12(10)17)9-4-7(13)3-8(14)5-9/h3-5,10H,2,6H2,1H3
InChIKeyLGUQLCNEEQVETG-UHFFFAOYSA-N
XLogP2.39
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3,5-dichlorophenyl)-3-ethylsulfinylpyrrolidine-2,5-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-ethylsulfinylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-ethylsulfinylpyrrolidine-2,5-dione (CID 21453261) is 1-(3,5-dichlorophenyl)-3-ethylsulfinylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-ethylsulfinylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-ethylsulfinylpyrrolidine-2,5-dione is CCS(=O)C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-ethylsulfinylpyrrolidine-2,5-dione?
The InChIKey is LGUQLCNEEQVETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO3S/c1-2-19(18)10-6-11(16)15(12(10)17)9-4-7(13)3-8(14)5-9/h3-5,10H,2,6H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)-3-ethylsulfinylpyrrolidine-2,5-dione?
1-(3,5-dichlorophenyl)-3-ethylsulfinylpyrrolidine-2,5-dione has a molecular weight of 320.20 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-ethylsulfinylpyrrolidine-2,5-dione is sourced from PubChem (CID 21453261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).