4-bromo-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide
Formula:C17H18N3O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide |
| MolecularFormula | C17H18N3O3BrS |
| Smiles | O=S(c(cc1)ccc1Br)(N/N=C\c(cc1)ccc1N1CCOCC1)=O |
| InChI | InChI=1S/C17H18BrN3O3S/c18-15-3-7-17(8-4-15)25(22,23)20-19-13-14-1-5-16(6-2-14)21-9-11-24-12-10-21/h1-8,13,20H,9-12H2 |
| InChIK | OCCWLCHDRUJEOE-UHFFFAOYSA-N |
| TotalMolweight | 424.318 |
| Molweight | 424.318 |
| MonoisotopicMass | 423.025223 |
| CLogP | 2.6713 |
| CLogS | -2.853 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 278.29 |
| Relative PSA | 0.23393 |
| PolarSurfaceArea | 79.38 |
| Druglikeness | 1.7975 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 7 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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