N-[(Z)-2-(1,3-dioxoisoindol-2-yl)ethylideneamino]-4-fluorobenzenesulfonamide
Formula:C16H12N3O4FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2-(1,3-dioxoisoindol-2-yl)ethylideneamino]-4-fluorobenzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-2-(1,3-dioxoisoindol-2-yl)ethylideneamino]-4-fluorobenzenesulfonamide |
| MolecularFormula | C16H12N3O4FS |
| Smiles | O=C(c1c2cccc1)N(C/C=N\NS(c(cc1)ccc1F)(=O)=O)C2=O |
| InChI | InChI=1S/C16H12FN3O4S/c17-11-5-7-12(8-6-11)25(23,24)19-18-9-10-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-9,19H,10H2 |
| InChIK | OJPMFUFIACSIAA-UHFFFAOYSA-N |
| TotalMolweight | 361.352 |
| Molweight | 361.352 |
| MonoisotopicMass | 361.053255 |
| CLogP | 1.0459 |
| CLogS | -1.923 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 250.23 |
| Relative PSA | 0.32442 |
| PolarSurfaceArea | 104.29 |
| Druglikeness | -7.9888 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-2-(1,3-dioxoisoindol-2-yl)ethylideneamino]-4-fluorobenzenesulfonamide | 2 - N-[(Z)-2-(1,3-dioxoisoindol-2-yl)ethylideneamino]-4-fluorobenzenesulfonamide
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