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

C14H10N2O3S4 — CID 2312394

IUPAC4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)/C(=C/c3cccs3)SC2=S)cc1
InChIInChI=1S/C14H10N2O3S4/c15-23(18,19)11-5-3-9(4-6-11)16-13(17)12(22-14(16)20)8-10-2-1-7-21-10/h1-8H,(H2,15,18,19)/b12-8-
InChIKeyQNXXTSQGXVXNCZ-WQLSENKSSA-N
MW382.51 g/mol
LogP2.80
Rot. Bonds3

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

4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzenesulfonamide (PubChem CID 2312394) has the molecular formula C14H10N2O3S4 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzenesulfonamide
PubChem CID2312394
Molecular FormulaC14H10N2O3S4
Molecular Weight382.51 g/mol
Exact Mass381.96
IUPAC Name4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)/C(=C/c3cccs3)SC2=S)cc1
InChIInChI=1S/C14H10N2O3S4/c15-23(18,19)11-5-3-9(4-6-11)16-13(17)12(22-14(16)20)8-10-2-1-7-21-10/h1-8H,(H2,15,18,19)/b12-8-
InChIKeyQNXXTSQGXVXNCZ-WQLSENKSSA-N
XLogP2.80
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
CID 670143
N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 687455
(Z)-3-phenyl-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-4-one
CID 1567497
N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiophen-2-ylacetamide
CID 1077847
(2E)-2-cyano-N-(4-sulfamoylphenyl)-3-(2-thienyl)prop-2-enamide
CID 20182298
(2E)-3-oxo-N-(4-sulfamoylphenyl)-2-(thiophen-2-ylmethylidene)butanamide
CID 155524915
N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 795488
3-(4-Sulfamoylphenyl)-2-thioxo-4-thiazolidinone
CID 1382812
N,N'-1,4-phenylenebis[N-(2-thienylsulfonyl)acetamide]
CID 2055891
(E)-N-(4-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2319752
(E)-N-[(4-sulfamoylphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 5752022
(E)-N-(3-sulfamoylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6043545

Frequently Asked Questions

What is the IUPAC name of 4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzenesulfonamide (CID 2312394) is 4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2C(=O)/C(=C/c3cccs3)SC2=S)cc1.
What is the InChIKey of 4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzenesulfonamide?
The InChIKey is QNXXTSQGXVXNCZ-WQLSENKSSA-N. The full InChI is InChI=1S/C14H10N2O3S4/c15-23(18,19)11-5-3-9(4-6-11)16-13(17)12(22-14(16)20)8-10-2-1-7-21-10/h1-8H,(H2,15,18,19)/b12-8-.
What are the key properties of 4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzenesulfonamide?
4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzenesulfonamide has a molecular weight of 382.51 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 2312394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).