| MolName | 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]benzamide |
| MolecularFormula | C23H16N3O5ClS |
| Smiles | O=C(c(cccc1)c1NS(c(cc1)ccc1Cl)(=O)=O)N/N=C\C1=COc(cccc2)c2C1=O |
| InChI | InChI=1S/C23H16ClN3O5S/c24-16-9-11-17(12-10-16)33(30,31)27-20-7-3-1-5-18(20)23(29)26-25-13-15-14-32-21-8-4-2-6-19(21)22(15)28/h1-14,27H,(H,26,29) |
| InChIK | RATQAPYLSHKCQX-UHFFFAOYSA-N |
| TotalMolweight | 481.915 |
| Molweight | 481.915 |
| MonoisotopicMass | 481.049919 |
| CLogP | 3.2241 |
| CLogS | -6.34 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 341.17 |
| Relative PSA | 0.29044 |
| PolarSurfaceArea | 122.31 |
| Druglikeness | 7.9896 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]benzamide | 2 - 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]benzamide