N-[(Z)-2-(1,3-dioxoisoindol-2-yl)ethylideneamino]naphthalene-2-sulfonamide
Formula:C20H15N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2-(1,3-dioxoisoindol-2-yl)ethylideneamino]naphthalene-2-sulfonamide is a drug-like molecule.
| MolName | N-[(Z)-2-(1,3-dioxoisoindol-2-yl)ethylideneamino]naphthalene-2-sulfonamide |
| MolecularFormula | C20H15N3O4S |
| Smiles | O=C(c1c2cccc1)N(C/C=N\NS(c1cc3ccccc3cc1)(=O)=O)C2=O |
| InChI | InChI=1S/C20H15N3O4S/c24-19-17-7-3-4-8-18(17)20(25)23(19)12-11-21-22-28(26,27)16-10-9-14-5-1-2-6-15(14)13-16/h1-11,13,22H,12H2 |
| InChIK | IKNAUGAOBHHOPK-UHFFFAOYSA-N |
| TotalMolweight | 393.422 |
| Molweight | 393.422 |
| MonoisotopicMass | 393.078327 |
| CLogP | 2.1395 |
| CLogS | -3.215 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 278.48 |
| Relative PSA | 0.29151 |
| PolarSurfaceArea | 104.29 |
| Druglikeness | -7.4291 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-2-(1,3-dioxoisoindol-2-yl)ethylideneamino]naphthalene-2-sulfonamide | 2 - N-[(Z)-2-(1,3-dioxoisoindol-2-yl)ethylideneamino]naphthalene-2-sulfonamide
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