4-bromo-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
Formula:C25H20N3O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide is not a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide |
| MolecularFormula | C25H20N3O2BrS |
| Smiles | O=S(c(cc1)ccc1Br)(N/N=C\c(cc1)ccc1N(c1ccccc1)c1ccccc1)=O |
| InChI | InChI=1S/C25H20BrN3O2S/c26-21-13-17-25(18-14-21)32(30,31)28-27-19-20-11-15-24(16-12-20)29(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-19,28H |
| InChIK | UMEPXLXYERJLGX-UHFFFAOYSA-N |
| TotalMolweight | 506.423 |
| Molweight | 506.423 |
| MonoisotopicMass | 505.045958 |
| CLogP | 5.5967 |
| CLogS | -6.926 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 346.27 |
| Relative PSA | 0.15912 |
| PolarSurfaceArea | 70.15 |
| Druglikeness | -1.431 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 13 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 4-bromo-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide | 2 - 4-bromo-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
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