N-[(Z)-(6-chloro-4-oxochromen-3-yl)methylideneamino]benzenesulfonamide
Formula:C16H11N2O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-chloro-4-oxochromen-3-yl)methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-(6-chloro-4-oxochromen-3-yl)methylideneamino]benzenesulfonamide |
| MolecularFormula | C16H11N2O4ClS |
| Smiles | O=C1c(cc(cc2)Cl)c2OC=C1/C=N\NS(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C16H11ClN2O4S/c17-12-6-7-15-14(8-12)16(20)11(10-23-15)9-18-19-24(21,22)13-4-2-1-3-5-13/h1-10,19H |
| InChIK | YEBBASQLMSFHSN-UHFFFAOYSA-N |
| TotalMolweight | 362.792 |
| Molweight | 362.792 |
| MonoisotopicMass | 362.012805 |
| CLogP | 2.0005 |
| CLogS | -3.202 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 252.2 |
| Relative PSA | 0.29576 |
| PolarSurfaceArea | 93.21 |
| Druglikeness | -3.1982 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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 - N-[(Z)-(6-chloro-4-oxochromen-3-yl)methylideneamino]benzenesulfonamide | 2 - N-[(Z)-(6-chloro-4-oxochromen-3-yl)methylideneamino]benzenesulfonamide
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