N-[(Z)-(2,4-difluorophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
Formula:C18H17N3O3F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-difluorophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-difluorophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide |
| MolecularFormula | C18H17N3O3F2S |
| Smiles | O=C(c1cccc(S(N2CCCC2)(=O)=O)c1)N/N=C\c(ccc(F)c1)c1F |
| InChI | InChI=1S/C18H17F2N3O3S/c19-15-7-6-14(17(20)11-15)12-21-22-18(24)13-4-3-5-16(10-13)27(25,26)23-8-1-2-9-23/h3-7,10-12H,1-2,8-9H2,(H,22,24) |
| InChIK | WBXMAIBKJYGFNE-UHFFFAOYSA-N |
| TotalMolweight | 393.413 |
| Molweight | 393.413 |
| MonoisotopicMass | 393.095868 |
| CLogP | 3.268 |
| CLogS | -4.174 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 280.11 |
| Relative PSA | 0.24326 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -0.53868 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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