2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
Formula:C27H22N3O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C27H22N3O4ClS |
| Smiles | O=C(CN(c(cc1)ccc1Cl)S(c1ccccc1)(=O)=O)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C27H22ClN3O4S/c28-22-14-16-23(17-15-22)31(36(33,34)26-12-5-2-6-13-26)20-27(32)30-29-19-21-8-7-11-25(18-21)35-24-9-3-1-4-10-24/h1-19H,20H2,(H,30,32) |
| InChIK | MGQRTDVVYNJXPE-UHFFFAOYSA-N |
| TotalMolweight | 520.008 |
| Molweight | 520.008 |
| MonoisotopicMass | 519.101954 |
| CLogP | 5.0524 |
| CLogS | -7.959 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 384.57 |
| Relative PSA | 0.20319 |
| PolarSurfaceArea | 96.45 |
| Druglikeness | -0.3975 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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1 - 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
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