4-[(3Z)-2-(2-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzenesulfonamide
Formula:C23H17N2O5FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
4-[(3Z)-2-(2-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzenesulfonamide is a drug-like molecule.
| MolName | 4-[(3Z)-2-(2-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzenesulfonamide |
| MolecularFormula | C23H17N2O5FS |
| Smiles | NS(c(cc1)ccc1N(C(/C(/C1=O)=C(\c2ccccc2)/O)c(cccc2)c2F)C1=O)(=O)=O |
| InChI | InChI=1S/C23H17FN2O5S/c24-18-9-5-4-8-17(18)20-19(21(27)14-6-2-1-3-7-14)22(28)23(29)26(20)15-10-12-16(13-11-15)32(25,30)31/h1-13,20,27H,(H2,25,30,31)/t20-/m1/s1 |
| InChIK | YLJCJVKHAIOQFD-HXUWFJFHSA-N |
| TotalMolweight | 452.461 |
| Molweight | 452.461 |
| MonoisotopicMass | 452.084221 |
| CLogP | 2.2991 |
| CLogS | -4.206 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 310.3 |
| Relative PSA | 0.27902 |
| PolarSurfaceArea | 126.15 |
| Druglikeness | -0.042937 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon | racemate |
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1 - 4-[(3Z)-2-(2-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzenesulfonamide | 2 - 4-[(3Z)-2-(2-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzenesulfonamide
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