4,4,5,5-tetrachloro-2-(3-chlorophenyl)-1-oxo-1,2-thiazolidin-3-one

C9H4Cl5NO2S — CID 21393508

IUPAC4,4,5,5-tetrachloro-2-(3-chlorophenyl)-1-oxo-1,2-thiazolidin-3-one
SMILESO=C1N(c2cccc(Cl)c2)S(=O)C(Cl)(Cl)C1(Cl)Cl
InChIInChI=1S/C9H4Cl5NO2S/c10-5-2-1-3-6(4-5)15-7(16)8(11,12)9(13,14)18(15)17/h1-4H
InChIKeyQMNNJQTULAJRRF-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.66
Rot. Bonds1

About 4,4,5,5-tetrachloro-2-(3-chlorophenyl)-1-oxo-1,2-thiazolidin-3-one

4,4,5,5-tetrachloro-2-(3-chlorophenyl)-1-oxo-1,2-thiazolidin-3-one (PubChem CID 21393508) has the molecular formula C9H4Cl5NO2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4,4,5,5-tetrachloro-2-(3-chlorophenyl)-1-oxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name4,4,5,5-tetrachloro-2-(3-chlorophenyl)-1-oxo-1,2-thiazolidin-3-one
PubChem CID21393508
Molecular FormulaC9H4Cl5NO2S
Molecular Weight367.47 g/mol
Exact Mass364.84
IUPAC Name4,4,5,5-tetrachloro-2-(3-chlorophenyl)-1-oxo-1,2-thiazolidin-3-one
SMILESO=C1N(c2cccc(Cl)c2)S(=O)C(Cl)(Cl)C1(Cl)Cl
InChIInChI=1S/C9H4Cl5NO2S/c10-5-2-1-3-6(4-5)15-7(16)8(11,12)9(13,14)18(15)17/h1-4H
InChIKeyQMNNJQTULAJRRF-UHFFFAOYSA-N
XLogP3.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetrachloro-2-(3-chlorophenyl)-1-oxo-1,2-thiazolidin-3-one 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 4,4,5,5-tetrachloro-2-(3-chlorophenyl)-1-oxo-1,2-thiazolidin-3-one?
The IUPAC name of 4,4,5,5-tetrachloro-2-(3-chlorophenyl)-1-oxo-1,2-thiazolidin-3-one (CID 21393508) is 4,4,5,5-tetrachloro-2-(3-chlorophenyl)-1-oxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 4,4,5,5-tetrachloro-2-(3-chlorophenyl)-1-oxo-1,2-thiazolidin-3-one?
The canonical SMILES for 4,4,5,5-tetrachloro-2-(3-chlorophenyl)-1-oxo-1,2-thiazolidin-3-one is O=C1N(c2cccc(Cl)c2)S(=O)C(Cl)(Cl)C1(Cl)Cl.
What is the InChIKey of 4,4,5,5-tetrachloro-2-(3-chlorophenyl)-1-oxo-1,2-thiazolidin-3-one?
The InChIKey is QMNNJQTULAJRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl5NO2S/c10-5-2-1-3-6(4-5)15-7(16)8(11,12)9(13,14)18(15)17/h1-4H.
What are the key properties of 4,4,5,5-tetrachloro-2-(3-chlorophenyl)-1-oxo-1,2-thiazolidin-3-one?
4,4,5,5-tetrachloro-2-(3-chlorophenyl)-1-oxo-1,2-thiazolidin-3-one has a molecular weight of 367.47 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetrachloro-2-(3-chlorophenyl)-1-oxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 21393508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).