N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
Formula:C20H17N2O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide |
| MolecularFormula | C20H17N2O3BrS |
| Smiles | O=S(c1ccccc1)(N/N=C\c(cc1)ccc1OCc(cc1)ccc1Br)=O |
| InChI | InChI=1S/C20H17BrN2O3S/c21-18-10-6-17(7-11-18)15-26-19-12-8-16(9-13-19)14-22-23-27(24,25)20-4-2-1-3-5-20/h1-14,23H,15H2 |
| InChIK | XXYUQULSKOHUAE-UHFFFAOYSA-N |
| TotalMolweight | 445.336 |
| Molweight | 445.336 |
| MonoisotopicMass | 444.014324 |
| CLogP | 4.3504 |
| CLogS | -4.091 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 299.97 |
| Relative PSA | 0.20519 |
| PolarSurfaceArea | 76.14 |
| Druglikeness | -6.4075 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| StereoCon |
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1 - N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide | 2 - N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
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