4-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]benzenesulfonamide

C18H15ClN2O3S3 — CID 2141469

IUPAC4-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1
InChIInChI=1S/C18H15ClN2O3S3/c19-14-5-1-13(2-6-14)11-16-17(22)21(18(25)26-16)10-9-12-3-7-15(8-4-12)27(20,23)24/h1-8,11H,9-10H2,(H2,20,23,24)/b16-11-
InChIKeyHBKQIISXGIQMKD-WJDWOHSUSA-N
MW438.98 g/mol
LogP3.43
Rot. Bonds5

About 4-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]benzenesulfonamide

4-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]benzenesulfonamide (PubChem CID 2141469) has the molecular formula C18H15ClN2O3S3 and a molecular weight of 438.98 g/mol. Its IUPAC name is 4-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]benzenesulfonamide
PubChem CID2141469
Molecular FormulaC18H15ClN2O3S3
Molecular Weight438.98 g/mol
Exact Mass437.99
IUPAC Name4-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1
InChIInChI=1S/C18H15ClN2O3S3/c19-14-5-1-13(2-6-14)11-16-17(22)21(18(25)26-16)10-9-12-3-7-15(8-4-12)27(20,23)24/h1-8,11H,9-10H2,(H2,20,23,24)/b16-11-
InChIKeyHBKQIISXGIQMKD-WJDWOHSUSA-N
XLogP3.43
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.98
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]benzenesulfonamide 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

4-[2-[(5E)-5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]benzenesulfonamide
CID 18811048
(5Z)-5-[(4-chlorophenyl)methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 27046883
(5E)-5-[(4-chlorophenyl)methylidene]-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2129794
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2133150
3-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CID 1201121
6-[5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanamide
CID 2769863
[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]methyl-diethylazanium
CID 7038448
(5Z)-3-(2-phenylethyl)-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2131921
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2181127
4-[2-[(3Z)-3-benzylidene-5-(4-chlorophenyl)-2-oxopyrrol-1-yl]ethyl]benzenesulfonamide
CID 164946349
4-[[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 74527906
4-[(Z)-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 119054003

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]benzenesulfonamide (CID 2141469) is 4-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1.
What is the InChIKey of 4-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]benzenesulfonamide?
The InChIKey is HBKQIISXGIQMKD-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H15ClN2O3S3/c19-14-5-1-13(2-6-14)11-16-17(22)21(18(25)26-16)10-9-12-3-7-15(8-4-12)27(20,23)24/h1-8,11H,9-10H2,(H2,20,23,24)/b16-11-.
What are the key properties of 4-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]benzenesulfonamide?
4-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]benzenesulfonamide has a molecular weight of 438.98 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 2141469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).