4-[[(5Z)-5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide

C16H13N3O3S2 — CID 135465736

IUPAC4-[[(5Z)-5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C2\NC(=O)/C(=C/c3ccccc3)S2)cc1
InChIInChI=1S/C16H13N3O3S2/c17-24(21,22)13-8-6-12(7-9-13)18-16-19-15(20)14(23-16)10-11-4-2-1-3-5-11/h1-10H,(H2,17,21,22)(H,18,19,20)/b14-10-
InChIKeyDNOTZRLHOVNCJM-UVTDQMKNSA-N
MW359.43 g/mol
LogP2.23
Rot. Bonds3

About 4-[[(5Z)-5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide

4-[[(5Z)-5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide (PubChem CID 135465736) has the molecular formula C16H13N3O3S2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-[[(5Z)-5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(5Z)-5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide
PubChem CID135465736
Molecular FormulaC16H13N3O3S2
Molecular Weight359.43 g/mol
Exact Mass359.04
IUPAC Name4-[[(5Z)-5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C2\NC(=O)/C(=C/c3ccccc3)S2)cc1
InChIInChI=1S/C16H13N3O3S2/c17-24(21,22)13-8-6-12(7-9-13)18-16-19-15(20)14(23-16)10-11-4-2-1-3-5-11/h1-10H,(H2,17,21,22)(H,18,19,20)/b14-10-
InChIKeyDNOTZRLHOVNCJM-UVTDQMKNSA-N
XLogP2.23
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[[(5Z)-5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene]amino]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-Thiazolidinone, 5-benzylidene-2-phenylimino-
CID 135411779
4-[(4-Oxo-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 135422576
5-[(4-Methylphenyl)methylene]-2-(phenylamino)-4(5h)-thiazolone
CID 135580376
(2E,5Z)-5-(4-fluorobenzylidene)-2-(phenylimino)-1,3-thiazolidin-4-one
CID 135518519
5-Methyl-3-[(4-methylphenyl)sulfonyl]-2-(phenylazamethylene)-1,3-thiazolidin-4-one
CID 4283776
4-[[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide
CID 135498108
5-(2-Fluorobenzylidene)-2-(phenylimino)-4-thiazolidinone
CID 135400260
4-Thiazolidinone, 2-((4-methylphenyl)imino)-5-(phenylmethylene)-
CID 135405771
5,5-Dimethyl-2-(phenylazamethylene)-3-(phenylsulfonyl)-1,3-thiazolidin-4-one
CID 1536281
(E)-2-((4-fluorophenyl)amino)-5-((E)-2-methyl-3-phenylallylidene)thiazol-4(5H)-one
CID 135426075
4-{[4-Oxo-5-(phenylmethylene)-1,3-thiazolin-2-yl]amino}benzenesulfonamide
CID 135465735
4-[[(5E)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide
CID 171714285

Frequently Asked Questions

What is the IUPAC name of 4-[[(5Z)-5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide?
The IUPAC name of 4-[[(5Z)-5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide (CID 135465736) is 4-[[(5Z)-5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[(5Z)-5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide?
The canonical SMILES for 4-[[(5Z)-5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=C2\NC(=O)/C(=C/c3ccccc3)S2)cc1.
What is the InChIKey of 4-[[(5Z)-5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide?
The InChIKey is DNOTZRLHOVNCJM-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H13N3O3S2/c17-24(21,22)13-8-6-12(7-9-13)18-16-19-15(20)14(23-16)10-11-4-2-1-3-5-11/h1-10H,(H2,17,21,22)(H,18,19,20)/b14-10-.
What are the key properties of 4-[[(5Z)-5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide?
4-[[(5Z)-5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide has a molecular weight of 359.43 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5Z)-5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide is sourced from PubChem (CID 135465736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).