(NE)-4-chloro-N-(4-chloro-3-cyclohexyl-5-formyl-1,3-thiazol-2-ylidene)benzenesulfonamide
Formula:C16H16N2O3Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-4-chloro-N-(4-chloro-3-cyclohexyl-5-formyl-1,3-thiazol-2-ylidene)benzenesulfonamide is a drug-like molecule.
| MolName | (NE)-4-chloro-N-(4-chloro-3-cyclohexyl-5-formyl-1,3-thiazol-2-ylidene)benzenesulfonamide |
| MolecularFormula | C16H16N2O3Cl2S2 |
| Smiles | O=CC(S/C(/N1C2CCCCC2)=N/S(c(cc2)ccc2Cl)(=O)=O)=C1Cl |
| InChI | InChI=1S/C16H16Cl2N2O3S2/c17-11-6-8-13(9-7-11)25(22,23)19-16-20(12-4-2-1-3-5-12)15(18)14(10-21)24-16/h6-10,12H,1-5H2 |
| InChIK | KFISTUKKTHPSEP-UHFFFAOYSA-N |
| TotalMolweight | 419.352 |
| Molweight | 419.352 |
| MonoisotopicMass | 417.997937 |
| CLogP | 3.9094 |
| CLogS | -5.626 |
| H Acceptors | 5 |
| TotalSurfaceArea | 280.2 |
| Relative PSA | 0.2647 |
| PolarSurfaceArea | 100.49 |
| Druglikeness | -2.945 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; 3-halo-enone |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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