4-[(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]benzenesulfonamide
Formula:C23H17N2O5BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
4-[(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]benzenesulfonamide is not a drug-like molecule.
| MolName | 4-[(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]benzenesulfonamide |
| MolecularFormula | C23H17N2O5BrS |
| Smiles | NS(c(cc1)ccc1N(C(/C(/C1=O)=C(/c(cc2)ccc2Br)\O)c2ccccc2)C1=O)(=O)=O |
| InChI | InChI=1S/C23H17BrN2O5S/c24-16-8-6-15(7-9-16)21(27)19-20(14-4-2-1-3-5-14)26(23(29)22(19)28)17-10-12-18(13-11-17)32(25,30)31/h1-13,20,27H,(H2,25,30,31)/t20-/m1/s1 |
| InChIK | HTOAHDBBSXPNIV-HXUWFJFHSA-N |
| TotalMolweight | 513.367 |
| Molweight | 513.367 |
| MonoisotopicMass | 512.004154 |
| CLogP | 2.9235 |
| CLogS | -4.726 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 322.58 |
| Relative PSA | 0.2684 |
| PolarSurfaceArea | 126.15 |
| Druglikeness | -0.4583 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.46875 |
| 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 | 7 |
| Amides | 2 |
| StereoCon | racemate |
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1 - 4-[(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]benzenesulfonamide | 2 - 4-[(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]benzenesulfonamide
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