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C17H11N3O4S4 | Cheminformatics
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4-[5-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

Molecular Formula : C17H11N3O4S4 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : low |
4-[5-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is a drug-like molecule.

MolName : 4-[5-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

MolecularFormula : C17H11N3O4S4

Smiles : O=C(/C(/S1)=C/c2ccc(-c(cc3)ccc3S(Nc3nccs3)(=O)=O)o2)NC1=S

InChI : InChI=1S/C17H11N3O4S4/c21-15-14(27-17(25)19-15)9-11-3-6-13(24-11)10-1-4-12(5-2-10)28(22,23)20-16-18-7-8-26-16/h1-9H,(H,18,20)(H,19,21,25)

InChIK : FNZKESUWXSDPCX-UHFFFAOYSA-N

TotalMolweight : 449.555

Molweight : 449.555

MonoisotopicMass : 448.963237

CLogP : 2.0075

CLogS : -6.026

H Acceptors : 7

H Donors : 2

TotalSurfaceArea : 307.83

Relative PSA : 0.50505

PolarSurfaceArea : 195.31

Druglikeness : 6.384

Mutagenic : high

Tumorigenic : high

Reproductive Effective : low

Irritant : none

Nasty Functions :

Shape Index : 0.60714

Fragments : 1

Non HAtoms : 28

NonCHAtoms : 11

Electronegative Atoms : 11

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 16

Sp3Atoms : 3

Symmetricatoms : 3

Amides : 2

Aromatic Nitrogens : 1

StereoCon :

Click to Load Molecule:
1 - 4-[5-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
2 - 4-[5-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
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