4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide

C10H10N2O3S2 — CID 135470027

IUPAC4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C2NC(=O)CS2)cc1
InChIInChI=1S/C10H10N2O3S2/c1-7-2-4-8(5-3-7)17(14,15)12-10-11-9(13)6-16-10/h2-5H,6H2,1H3,(H,11,12,13)
InChIKeyXFYKTBKTAXHSAH-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.90
Rot. Bonds2

About 4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide

4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide (PubChem CID 135470027) has the molecular formula C10H10N2O3S2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide
PubChem CID135470027
Molecular FormulaC10H10N2O3S2
Molecular Weight270.33 g/mol
Exact Mass270.01
IUPAC Name4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C2NC(=O)CS2)cc1
InChIInChI=1S/C10H10N2O3S2/c1-7-2-4-8(5-3-7)17(14,15)12-10-11-9(13)6-16-10/h2-5H,6H2,1H3,(H,11,12,13)
InChIKeyXFYKTBKTAXHSAH-UHFFFAOYSA-N
XLogP0.90
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methylphenyl)thio]-N-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 135455148
2-[(Z)-Allylimino]-3-(toluene-4-sulfonyl)-thiazolidin-4-one
CID 655314
2-(1-Azabut-3-enylidene)-5-ethyl-3-[(4-methylphenyl)sulfonyl]-1,3-thiazolidin-4-one
CID 4159425
2-[(4-Sulfamoylphenyl)methylsulfanyl]acetamide
CID 44343753
4-[2-[(4-Oxo-1,3-thiazolidin-2-ylidene)amino]ethyl]benzenesulfonamide
CID 137644307
(2Z)-2-(allylimino)-5,5-dimethyl-3-[(4-methylphenyl)sulfonyl]-1,3-thiazolidin-4-one
CID 1581676
(NZ)-N-[(5E)-5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide
CID 135493312
N-(5-benzylidene-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
CID 135433291
N-(4-methylphenyl)sulfonyl-2-methylsulfanylacetamide
CID 5461261
4-methyl-N-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide
CID 135422665
(2E)-2-[(4-methylphenyl)sulfonylmethylidene]-1,3-thiazolidin-4-one
CID 5949810
(E)-N-(5-benzylidene-4-oxo-4,5-dihydrothiazol-2-yl)-4-methylbenzenesulfonamide
CID 135959054

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide (CID 135470027) is 4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide is Cc1ccc(S(=O)(=O)N=C2NC(=O)CS2)cc1.
What is the InChIKey of 4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide?
The InChIKey is XFYKTBKTAXHSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S2/c1-7-2-4-8(5-3-7)17(14,15)12-10-11-9(13)6-16-10/h2-5H,6H2,1H3,(H,11,12,13).
What are the key properties of 4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide?
4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide has a molecular weight of 270.33 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 135470027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).