2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]acetamide
Formula:C24H19N3O5ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]acetamide |
| MolecularFormula | C24H19N3O5ClF3S |
| Smiles | O=C(CN(c(cc1)cc(C(F)(F)F)c1Cl)S(c1ccccc1)(=O)=O)N/N=C\c1c2OCCOc2ccc1 |
| InChI | InChI=1S/C24H19ClF3N3O5S/c25-20-10-9-17(13-19(20)24(26,27)28)31(37(33,34)18-6-2-1-3-7-18)15-22(32)30-29-14-16-5-4-8-21-23(16)36-12-11-35-21/h1-10,13-14H,11-12,15H2,(H,30,32) |
| InChIK | MRECZZVLPOUDSN-UHFFFAOYSA-N |
| TotalMolweight | 553.944 |
| Molweight | 553.944 |
| MonoisotopicMass | 553.068603 |
| CLogP | 4.4839 |
| CLogS | -6.622 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 378.29 |
| Relative PSA | 0.233 |
| PolarSurfaceArea | 105.68 |
| Druglikeness | -15.695 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.43243 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]acetamide
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