(NE)-N-(4-chloro-3-cyclohexyl-5-formyl-1,3-thiazol-2-ylidene)benzenesulfonamide
Formula:C16H17N2O3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-(4-chloro-3-cyclohexyl-5-formyl-1,3-thiazol-2-ylidene)benzenesulfonamide is a drug-like molecule.
| MolName | (NE)-N-(4-chloro-3-cyclohexyl-5-formyl-1,3-thiazol-2-ylidene)benzenesulfonamide |
| MolecularFormula | C16H17N2O3ClS2 |
| Smiles | O=CC(S/C(/N1C2CCCCC2)=N/S(c2ccccc2)(=O)=O)=C1Cl |
| InChI | InChI=1S/C16H17ClN2O3S2/c17-15-14(11-20)23-16(19(15)12-7-3-1-4-8-12)18-24(21,22)13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2 |
| InChIK | VKJCKHCQPVAJKV-UHFFFAOYSA-N |
| TotalMolweight | 384.907 |
| Molweight | 384.907 |
| MonoisotopicMass | 384.03691 |
| CLogP | 3.3034 |
| CLogS | -4.89 |
| H Acceptors | 5 |
| TotalSurfaceArea | 264.78 |
| Relative PSA | 0.28012 |
| PolarSurfaceArea | 100.49 |
| Druglikeness | -11.239 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; 3-halo-enone |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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