2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-[3-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
Formula:C25H21N3O4ClF3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-[3-(thietan-3-yloxy)phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-[3-(thietan-3-yloxy)phenyl]methylideneamino]acetamide |
| MolecularFormula | C25H21N3O4ClF3S2 |
| Smiles | O=C(CN(c(cc1)cc(C(F)(F)F)c1Cl)S(c1ccccc1)(=O)=O)N/N=C\c1cc(OC2CSC2)ccc1 |
| InChI | InChI=1S/C25H21ClF3N3O4S2/c26-23-10-9-18(12-22(23)25(27,28)29)32(38(34,35)21-7-2-1-3-8-21)14-24(33)31-30-13-17-5-4-6-19(11-17)36-20-15-37-16-20/h1-13,20H,14-16H2,(H,31,33) |
| InChIK | GACZQGWYSAMIGW-UHFFFAOYSA-N |
| TotalMolweight | 584.038 |
| Molweight | 584.038 |
| MonoisotopicMass | 583.061408 |
| CLogP | 4.5497 |
| CLogS | -7.289 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 398.28 |
| Relative PSA | 0.24011 |
| PolarSurfaceArea | 121.75 |
| Druglikeness | -8.3804 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.47368 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-[3-(thietan-3-yloxy)phenyl]methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-[3-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off