2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
Formula:C19H16N3O4ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide |
| MolecularFormula | C19H16N3O4ClS |
| Smiles | O=C(CN(c(cc1)ccc1Cl)S(c1ccccc1)(=O)=O)N/N=C\c1ccco1 |
| InChI | InChI=1S/C19H16ClN3O4S/c20-15-8-10-16(11-9-15)23(28(25,26)18-6-2-1-3-7-18)14-19(24)22-21-13-17-5-4-12-27-17/h1-13H,14H2,(H,22,24) |
| InChIK | OKSFNEJDMIOHFG-UHFFFAOYSA-N |
| TotalMolweight | 417.872 |
| Molweight | 417.872 |
| MonoisotopicMass | 417.055004 |
| CLogP | 2.8455 |
| CLogS | -5.344 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 304.5 |
| Relative PSA | 0.27011 |
| PolarSurfaceArea | 100.36 |
| Druglikeness | -0.43437 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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