(NZ)-N-(2,2,2-trifluoro-1-piperidin-1-ylethylidene)benzenesulfonamide
Formula:C13H15N2O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-(2,2,2-trifluoro-1-piperidin-1-ylethylidene)benzenesulfonamide is a drug-like molecule.
| MolName | (NZ)-N-(2,2,2-trifluoro-1-piperidin-1-ylethylidene)benzenesulfonamide |
| MolecularFormula | C13H15N2O2F3S |
| Smiles | O=S(c1ccccc1)(/N=C(/C(F)(F)F)\N1CCCCC1)=O |
| InChI | InChI=1S/C13H15F3N2O2S/c14-13(15,16)12(18-9-5-2-6-10-18)17-21(19,20)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2 |
| InChIK | XTXBBWNHNVFBBN-UHFFFAOYSA-N |
| TotalMolweight | 320.334 |
| Molweight | 320.334 |
| MonoisotopicMass | 320.080632 |
| CLogP | 2.741 |
| CLogS | -2.877 |
| H Acceptors | 4 |
| TotalSurfaceArea | 219.87 |
| Relative PSA | 0.19848 |
| PolarSurfaceArea | 58.12 |
| Druglikeness | -15.546 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 7 |
| BasicNitrogens | 1 |
| StereoCon |
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