3-(4-chlorophenyl)-2-(3-nitrophenyl)-1,1-dioxo-1,3-thiazolidin-4-one

C15H11ClN2O5S — CID 5197083

IUPAC3-(4-chlorophenyl)-2-(3-nitrophenyl)-1,1-dioxo-1,3-thiazolidin-4-one
SMILESO=C1CS(=O)(=O)C(c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O5S/c16-11-4-6-12(7-5-11)17-14(19)9-24(22,23)15(17)10-2-1-3-13(8-10)18(20)21/h1-8,15H,9H2
InChIKeySIAJFFJHFMABQX-UHFFFAOYSA-N
MW366.78 g/mol
LogP2.71
Rot. Bonds3

About 3-(4-chlorophenyl)-2-(3-nitrophenyl)-1,1-dioxo-1,3-thiazolidin-4-one

3-(4-chlorophenyl)-2-(3-nitrophenyl)-1,1-dioxo-1,3-thiazolidin-4-one (PubChem CID 5197083) has the molecular formula C15H11ClN2O5S and a molecular weight of 366.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(3-nitrophenyl)-1,1-dioxo-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(3-nitrophenyl)-1,1-dioxo-1,3-thiazolidin-4-one
PubChem CID5197083
Molecular FormulaC15H11ClN2O5S
Molecular Weight366.78 g/mol
Exact Mass366.01
IUPAC Name3-(4-chlorophenyl)-2-(3-nitrophenyl)-1,1-dioxo-1,3-thiazolidin-4-one
SMILESO=C1CS(=O)(=O)C(c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O5S/c16-11-4-6-12(7-5-11)17-14(19)9-24(22,23)15(17)10-2-1-3-13(8-10)18(20)21/h1-8,15H,9H2
InChIKeySIAJFFJHFMABQX-UHFFFAOYSA-N
XLogP2.71
TPSA97.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.78
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(4-chlorophenyl)-2-(3-nitrophenyl)-1,1-dioxo-1,3-thiazolidin-4-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 3-(4-chlorophenyl)-2-(3-nitrophenyl)-1,1-dioxo-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-2-(3-nitrophenyl)-1,1-dioxo-1,3-thiazolidin-4-one (CID 5197083) is 3-(4-chlorophenyl)-2-(3-nitrophenyl)-1,1-dioxo-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(3-nitrophenyl)-1,1-dioxo-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-(3-nitrophenyl)-1,1-dioxo-1,3-thiazolidin-4-one is O=C1CS(=O)(=O)C(c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(3-nitrophenyl)-1,1-dioxo-1,3-thiazolidin-4-one?
The InChIKey is SIAJFFJHFMABQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O5S/c16-11-4-6-12(7-5-11)17-14(19)9-24(22,23)15(17)10-2-1-3-13(8-10)18(20)21/h1-8,15H,9H2.
What are the key properties of 3-(4-chlorophenyl)-2-(3-nitrophenyl)-1,1-dioxo-1,3-thiazolidin-4-one?
3-(4-chlorophenyl)-2-(3-nitrophenyl)-1,1-dioxo-1,3-thiazolidin-4-one has a molecular weight of 366.78 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(3-nitrophenyl)-1,1-dioxo-1,3-thiazolidin-4-one is sourced from PubChem (CID 5197083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).