2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
Formula:C28H23N3O4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide |
| MolecularFormula | C28H23N3O4Cl2S |
| Smiles | O=C(CN(c1cc(Cl)ccc1)S(c1ccccc1)(=O)=O)N/N=C\c(cc1)ccc1OCc(cccc1)c1Cl |
| InChI | InChI=1S/C28H23Cl2N3O4S/c29-23-8-6-9-24(17-23)33(38(35,36)26-10-2-1-3-11-26)19-28(34)32-31-18-21-13-15-25(16-14-21)37-20-22-7-4-5-12-27(22)30/h1-18H,19-20H2,(H,32,34) |
| InChIK | RVFXUYOPEKWXOA-UHFFFAOYSA-N |
| TotalMolweight | 568.48 |
| Molweight | 568.48 |
| MonoisotopicMass | 567.078631 |
| CLogP | 5.6109 |
| CLogS | -7.739 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 413.75 |
| Relative PSA | 0.18886 |
| PolarSurfaceArea | 96.45 |
| Druglikeness | 0.1854 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55263 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
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