N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
Formula:C18H17N3O3ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide |
| MolecularFormula | C18H17N3O3ClFS |
| Smiles | O=C(c1cc(S(N2CCCC2)(=O)=O)ccc1)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C18H17ClFN3O3S/c19-16-7-4-8-17(20)15(16)12-21-22-18(24)13-5-3-6-14(11-13)27(25,26)23-9-1-2-10-23/h3-8,11-12H,1-2,9-10H2,(H,22,24) |
| InChIK | YEGRYWBKIMCTMF-UHFFFAOYSA-N |
| TotalMolweight | 409.868 |
| Molweight | 409.868 |
| MonoisotopicMass | 409.066317 |
| CLogP | 3.7732 |
| CLogS | -4.596 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 289.18 |
| Relative PSA | 0.23563 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -0.38786 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| 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 |
Click to Load Molecule:
1 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide | 2 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off