4-[(5Z)-5-(furan-2-ylmethylidene)-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide

C14H11N3O4S2 — CID 16633519

IUPAC4-[(5Z)-5-(furan-2-ylmethylidene)-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide
SMILES[H]/N=C1\S/C(=C\c2ccco2)C(=O)N1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H11N3O4S2/c15-14-17(9-3-5-11(6-4-9)23(16,19)20)13(18)12(22-14)8-10-2-1-7-21-10/h1-8,15H,(H2,16,19,20)/b12-8-,15-14-
InChIKeyGQNAGBWURQNFSZ-YHININJHSA-N
MW349.39 g/mol
LogP1.98
Rot. Bonds3

About 4-[(5Z)-5-(furan-2-ylmethylidene)-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide

4-[(5Z)-5-(furan-2-ylmethylidene)-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide (PubChem CID 16633519) has the molecular formula C14H11N3O4S2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-[(5Z)-5-(furan-2-ylmethylidene)-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5Z)-5-(furan-2-ylmethylidene)-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide
PubChem CID16633519
Molecular FormulaC14H11N3O4S2
Molecular Weight349.39 g/mol
Exact Mass349.02
IUPAC Name4-[(5Z)-5-(furan-2-ylmethylidene)-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide
SMILES[H]/N=C1\S/C(=C\c2ccco2)C(=O)N1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H11N3O4S2/c15-14-17(9-3-5-11(6-4-9)23(16,19)20)13(18)12(22-14)8-10-2-1-7-21-10/h1-8,15H,(H2,16,19,20)/b12-8-,15-14-
InChIKeyGQNAGBWURQNFSZ-YHININJHSA-N
XLogP1.98
TPSA117.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide
CID 16633484
4-[(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide
CID 16633486
(5Z)-5-(furan-2-ylmethylidene)-2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
CID 2176068
2-[4-bromo-2-[(Z)-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 16633147
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 16627109
2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-sulfamoylphenyl)acetamide
CID 16629316
3-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-sulfamoylphenyl)propanamide
CID 16629856
(5Z)-3-(4-ethylphenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2191779
2-[4-chloro-2-[(Z)-[2-imino-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 16633421
(5E)-5-[(4-chlorophenyl)methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 6342893
5-(furan-2-ylmethylidene)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 4552618
3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1284167

Frequently Asked Questions

What is the IUPAC name of 4-[(5Z)-5-(furan-2-ylmethylidene)-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-[(5Z)-5-(furan-2-ylmethylidene)-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide (CID 16633519) is 4-[(5Z)-5-(furan-2-ylmethylidene)-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[(5Z)-5-(furan-2-ylmethylidene)-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[(5Z)-5-(furan-2-ylmethylidene)-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide is [H]/N=C1\S/C(=C\c2ccco2)C(=O)N1c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(5Z)-5-(furan-2-ylmethylidene)-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide?
The InChIKey is GQNAGBWURQNFSZ-YHININJHSA-N. The full InChI is InChI=1S/C14H11N3O4S2/c15-14-17(9-3-5-11(6-4-9)23(16,19)20)13(18)12(22-14)8-10-2-1-7-21-10/h1-8,15H,(H2,16,19,20)/b12-8-,15-14-.
What are the key properties of 4-[(5Z)-5-(furan-2-ylmethylidene)-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide?
4-[(5Z)-5-(furan-2-ylmethylidene)-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide has a molecular weight of 349.39 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5Z)-5-(furan-2-ylmethylidene)-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 16633519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).