N-[(Z)-[2-bromo-5-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
Formula:C20H16N2O3Br2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-bromo-5-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-bromo-5-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide |
| MolecularFormula | C20H16N2O3Br2S |
| Smiles | O=S(c1ccccc1)(N/N=C\c(cc(cc1)OCc2cc(Br)ccc2)c1Br)=O |
| InChI | InChI=1S/C20H16Br2N2O3S/c21-17-6-4-5-15(11-17)14-27-18-9-10-20(22)16(12-18)13-23-24-28(25,26)19-7-2-1-3-8-19/h1-13,24H,14H2 |
| InChIK | YYQBHCHCWPKVSR-UHFFFAOYSA-N |
| TotalMolweight | 524.232 |
| Molweight | 524.232 |
| MonoisotopicMass | 521.924835 |
| CLogP | 5.0756 |
| CLogS | -4.925 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 318.6 |
| Relative PSA | 0.19319 |
| PolarSurfaceArea | 76.14 |
| Druglikeness | -8.2534 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - N-[(Z)-[2-bromo-5-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide | 2 - N-[(Z)-[2-bromo-5-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
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