N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-3-[(2,5-dichlorophenyl)sulfamoyl]benzamide
Formula:C22H15N3O5Cl2F4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-3-[(2,5-dichlorophenyl)sulfamoyl]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-3-[(2,5-dichlorophenyl)sulfamoyl]benzamide |
| MolecularFormula | C22H15N3O5Cl2F4S |
| Smiles | O=C(c1cccc(S(Nc(cc(cc2)Cl)c2Cl)(=O)=O)c1)N/N=C\c(ccc(OC(F)F)c1)c1OC(F)F |
| InChI | InChI=1S/C22H15Cl2F4N3O5S/c23-14-5-7-17(24)18(9-14)31-37(33,34)16-3-1-2-12(8-16)20(32)30-29-11-13-4-6-15(35-21(25)26)10-19(13)36-22(27)28/h1-11,21-22,31H,(H,30,32) |
| InChIK | DWKFHUBIVFXTMW-UHFFFAOYSA-N |
| TotalMolweight | 580.341 |
| Molweight | 580.341 |
| MonoisotopicMass | 579.004558 |
| CLogP | 5.0515 |
| CLogS | -7.77 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 388.03 |
| Relative PSA | 0.24753 |
| PolarSurfaceArea | 114.47 |
| Druglikeness | -2.6912 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54054 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 15 |
| Electronegative Atoms | 15 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-3-[(2,5-dichlorophenyl)sulfamoyl]benzamide | 2 - N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-3-[(2,5-dichlorophenyl)sulfamoyl]benzamide
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