(NE)-N-[phenyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methylidene]benzenesulfonamide
Formula:C24H22N3O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[phenyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methylidene]benzenesulfonamide is a drug-like molecule.
| MolName | (NE)-N-[phenyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methylidene]benzenesulfonamide |
| MolecularFormula | C24H22N3O2F3S |
| Smiles | O=S(c1ccccc1)(/N=C(\c1ccccc1)/N(CC1)CCN1c1cc(C(F)(F)F)ccc1)=O |
| InChI | InChI=1S/C24H22F3N3O2S/c25-24(26,27)20-10-7-11-21(18-20)29-14-16-30(17-15-29)23(19-8-3-1-4-9-19)28-33(31,32)22-12-5-2-6-13-22/h1-13,18H,14-17H2 |
| InChIK | UDFVLQUZNKZIKQ-UHFFFAOYSA-N |
| TotalMolweight | 473.518 |
| Molweight | 473.518 |
| MonoisotopicMass | 473.138481 |
| CLogP | 4.9894 |
| CLogS | -4.543 |
| H Acceptors | 5 |
| TotalSurfaceArea | 335.93 |
| Relative PSA | 0.14048 |
| PolarSurfaceArea | 61.36 |
| Druglikeness | -6.7787 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 9 |
| Amines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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