2-[(4-chloro-2-methylsulfonylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C11H10ClN3O3S2 — CID 168574956

IUPAC2-[(4-chloro-2-methylsulfonylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCS(=O)(=O)c1cc(Cl)ccc1C=NN=C1NC(=O)CS1
InChIInChI=1S/C11H10ClN3O3S2/c1-20(17,18)9-4-8(12)3-2-7(9)5-13-15-11-14-10(16)6-19-11/h2-5H,6H2,1H3,(H,14,15,16)
InChIKeyFOYHVOXKSWMMAY-UHFFFAOYSA-N
MW331.81 g/mol
LogP1.30
Rot. Bonds3

About 2-[(4-chloro-2-methylsulfonylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[(4-chloro-2-methylsulfonylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168574956) has the molecular formula C11H10ClN3O3S2 and a molecular weight of 331.81 g/mol. Its IUPAC name is 2-[(4-chloro-2-methylsulfonylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(4-chloro-2-methylsulfonylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168574956
Molecular FormulaC11H10ClN3O3S2
Molecular Weight331.81 g/mol
Exact Mass330.99
IUPAC Name2-[(4-chloro-2-methylsulfonylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCS(=O)(=O)c1cc(Cl)ccc1C=NN=C1NC(=O)CS1
InChIInChI=1S/C11H10ClN3O3S2/c1-20(17,18)9-4-8(12)3-2-7(9)5-13-15-11-14-10(16)6-19-11/h2-5H,6H2,1H3,(H,14,15,16)
InChIKeyFOYHVOXKSWMMAY-UHFFFAOYSA-N
XLogP1.30
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(4-chloro-2-methylsulfonylphenyl)methylidenehydrazinylidene]-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

Related Compounds

2-[[4-chloro-2-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575426
2-[(2-chloro-3,5-dimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576582
2-[(4-ethyl-2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574383
2-[(4-bromo-2,3-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576442
2-[(4-fluoro-2-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574388
(2Z)-2-[(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135892890
(2E)-2-[(E)-(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135666878
2-[(2-chloro-6-fluoro-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574458
2-[(2-chloro-4,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576222
2-[(3-bromo-4-fluoro-2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574626
[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl] 4-chlorobenzenesulfonate
CID 135498196
2-[(2,3-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576171

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methylsulfonylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(4-chloro-2-methylsulfonylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168574956) is 2-[(4-chloro-2-methylsulfonylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(4-chloro-2-methylsulfonylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(4-chloro-2-methylsulfonylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CS(=O)(=O)c1cc(Cl)ccc1C=NN=C1NC(=O)CS1.
What is the InChIKey of 2-[(4-chloro-2-methylsulfonylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is FOYHVOXKSWMMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3S2/c1-20(17,18)9-4-8(12)3-2-7(9)5-13-15-11-14-10(16)6-19-11/h2-5H,6H2,1H3,(H,14,15,16).
What are the key properties of 2-[(4-chloro-2-methylsulfonylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(4-chloro-2-methylsulfonylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 331.81 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-methylsulfonylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168574956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).