4-[(5E)-5-[(2,5-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

Formula:C19H11N3O3Cl2S4 Mutagenic:none Tumorigenic:high Reproductive Effective:high 4-[(5E)-5-[(2,5-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is not a drug-like molecule.

MolName	4-[(5E)-5-[(2,5-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
MolecularFormula	C19H11N3O3Cl2S4
Smiles	O=C(/C(/SC1=S)=C\c(cc(cc2)Cl)c2Cl)N1c(cc1)ccc1S(Nc1nccs1)(=O)=O
InChI	InChI=1S/C19H11Cl2N3O3S4/c20-12-1-6-15(21)11(9-12)10-16-17(25)24(19(28)30-16)13-2-4-14(5-3-13)31(26,27)23-18-22-7-8-29-18/h1-10H,(H,22,23)
InChIK	FYFAGQFQWFEWGX-UHFFFAOYSA-N
TotalMolweight	528.484
Molweight	528.484
MonoisotopicMass	526.906026
CLogP	4.0287
CLogS	-7.521
H Acceptors	6
H Donors	1
TotalSurfaceArea	347.82
Relative PSA	0.38368
PolarSurfaceArea	173.38
Druglikeness	6.1625
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	3
Amides	2
Aromatic Nitrogens	1
StereoCon

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1 - 4-[(5E)-5-[(2,5-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide | 2 - 4-[(5E)-5-[(2,5-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

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