N-[(Z)-2-(1,3-dioxoisoindol-2-yl)ethylideneamino]-3-nitrobenzenesulfonamide
Formula:C16H12N4O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2-(1,3-dioxoisoindol-2-yl)ethylideneamino]-3-nitrobenzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-2-(1,3-dioxoisoindol-2-yl)ethylideneamino]-3-nitrobenzenesulfonamide |
| MolecularFormula | C16H12N4O6S |
| Smiles | [O-][N+](c1cccc(S(N/N=C\CN(C(c2c3cccc2)=O)C3=O)(=O)=O)c1)=O |
| InChI | InChI=1S/C16H12N4O6S/c21-15-13-6-1-2-7-14(13)16(22)19(15)9-8-17-18-27(25,26)12-5-3-4-11(10-12)20(23)24/h1-8,10,18H,9H2 |
| InChIK | VJXKWLDYCVSMFJ-UHFFFAOYSA-N |
| TotalMolweight | 388.359 |
| Molweight | 388.359 |
| MonoisotopicMass | 388.047756 |
| CLogP | 0.0235 |
| CLogS | -2.069 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 267.55 |
| Relative PSA | 0.41712 |
| PolarSurfaceArea | 150.11 |
| Druglikeness | -14.433 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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