N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
Formula:C22H16N4O5ClFS4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide |
| MolecularFormula | C22H16N4O5ClFS4 |
| Smiles | O=C(c1cc(NS(c2cccs2)(=O)=O)cc(NS(c2cccs2)(=O)=O)c1)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C22H16ClFN4O5S4/c23-18-4-1-5-19(24)17(18)13-25-26-22(29)14-10-15(27-36(30,31)20-6-2-8-34-20)12-16(11-14)28-37(32,33)21-7-3-9-35-21/h1-13,27-28H,(H,26,29) |
| InChIK | CHTPNAQQEBWTMQ-UHFFFAOYSA-N |
| TotalMolweight | 599.107 |
| Molweight | 599.107 |
| MonoisotopicMass | 597.967606 |
| CLogP | 4.4848 |
| CLogS | -7.271 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 400.24 |
| Relative PSA | 0.39179 |
| PolarSurfaceArea | 207.04 |
| Druglikeness | -0.42384 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.43243 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 15 |
| Electronegative Atoms | 15 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 12 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide | 2 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off