2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
Formula:C21H16N4O3ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide |
| MolecularFormula | C21H16N4O3ClF3S |
| Smiles | O=C(CN(c(cc(C(F)(F)F)cc1)c1Cl)S(c1ccccc1)(=O)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C21H16ClF3N4O3S/c22-18-9-8-16(21(23,24)25)11-19(18)29(33(31,32)17-6-2-1-3-7-17)14-20(30)28-27-13-15-5-4-10-26-12-15/h1-13H,14H2,(H,28,30) |
| InChIK | VBOYBEGJAQTRQX-UHFFFAOYSA-N |
| TotalMolweight | 496.896 |
| Molweight | 496.896 |
| MonoisotopicMass | 496.058372 |
| CLogP | 3.5042 |
| CLogS | -5.645 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 343.03 |
| Relative PSA | 0.23062 |
| PolarSurfaceArea | 100.11 |
| Druglikeness | -8.572 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off