3-pyrrolidin-1-ylsulfonyl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
Formula:C19H18N3O3F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-pyrrolidin-1-ylsulfonyl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-pyrrolidin-1-ylsulfonyl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]benzamide |
| MolecularFormula | C19H18N3O3F3S |
| Smiles | O=C(c1cccc(S(N2CCCC2)(=O)=O)c1)N/N=C\c1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C19H18F3N3O3S/c20-19(21,22)16-7-3-5-14(11-16)13-23-24-18(26)15-6-4-8-17(12-15)29(27,28)25-9-1-2-10-25/h3-8,11-13H,1-2,9-10H2,(H,24,26) |
| InChIK | DWSTURIUSOHFEB-UHFFFAOYSA-N |
| TotalMolweight | 425.43 |
| Molweight | 425.43 |
| MonoisotopicMass | 425.102096 |
| CLogP | 3.9147 |
| CLogS | -4.324 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 296.87 |
| Relative PSA | 0.22953 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -6.2409 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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