4-[(3E)-2-(4-chlorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
Formula:C26H18N3O5ClS2
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
4-[(3E)-2-(4-chlorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is not a drug-like molecule.
| MolName | 4-[(3E)-2-(4-chlorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide |
| MolecularFormula | C26H18N3O5ClS2 |
| Smiles | O/C(/c1ccccc1)=C(\C(c(cc1)ccc1Cl)N(C1=O)c(cc2)ccc2S(Nc2nccs2)(=O)=O)/C1=O |
| InChI | InChI=1S/C26H18ClN3O5S2/c27-18-8-6-16(7-9-18)22-21(23(31)17-4-2-1-3-5-17)24(32)25(33)30(22)19-10-12-20(13-11-19)37(34,35)29-26-28-14-15-36-26/h1-15,22,31H,(H,28,29)/t22-/m1/s1 |
| InChIK | KMIYOXOQSPPGLG-JOCHJYFZSA-N |
| TotalMolweight | 552.03 |
| Molweight | 552.03 |
| MonoisotopicMass | 551.037639 |
| CLogP | 3.9647 |
| CLogS | -5.795 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 376.77 |
| Relative PSA | 0.30284 |
| PolarSurfaceArea | 153.29 |
| Druglikeness | 4.0042 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45946 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 4-[(3E)-2-(4-chlorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide | 2 - 4-[(3E)-2-(4-chlorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
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