4-chloro-N-[(Z)-(6-chloro-4-oxochromen-3-yl)methylideneamino]benzenesulfonamide
Formula:C16H10N2O4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N-[(Z)-(6-chloro-4-oxochromen-3-yl)methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-(6-chloro-4-oxochromen-3-yl)methylideneamino]benzenesulfonamide |
| MolecularFormula | C16H10N2O4Cl2S |
| Smiles | O=C1c(cc(cc2)Cl)c2OC=C1/C=N\NS(c(cc1)ccc1Cl)(=O)=O |
| InChI | InChI=1S/C16H10Cl2N2O4S/c17-11-1-4-13(5-2-11)25(22,23)20-19-8-10-9-24-15-6-3-12(18)7-14(15)16(10)21/h1-9,20H |
| InChIK | IPDJIXQQXFQDSK-UHFFFAOYSA-N |
| TotalMolweight | 397.237 |
| Molweight | 397.237 |
| MonoisotopicMass | 395.973832 |
| CLogP | 2.6065 |
| CLogS | -3.938 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 267.62 |
| Relative PSA | 0.27872 |
| PolarSurfaceArea | 93.21 |
| Druglikeness | 5.041 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - 4-chloro-N-[(Z)-(6-chloro-4-oxochromen-3-yl)methylideneamino]benzenesulfonamide | 2 - 4-chloro-N-[(Z)-(6-chloro-4-oxochromen-3-yl)methylideneamino]benzenesulfonamide
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