(E)-N-[3-[(4-bromophenyl)sulfamoyl]-4-chlorophenyl]-2-cyano-3-phenylprop-2-enamide
Formula:C22H15N3O3BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[3-[(4-bromophenyl)sulfamoyl]-4-chlorophenyl]-2-cyano-3-phenylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-[3-[(4-bromophenyl)sulfamoyl]-4-chlorophenyl]-2-cyano-3-phenylprop-2-enamide |
| MolecularFormula | C22H15N3O3BrClS |
| Smiles | N#C/C(/C(Nc(cc1)cc(S(Nc(cc2)ccc2Br)(=O)=O)c1Cl)=O)=C\c1ccccc1 |
| InChI | InChI=1S/C22H15BrClN3O3S/c23-17-6-8-18(9-7-17)27-31(29,30)21-13-19(10-11-20(21)24)26-22(28)16(14-25)12-15-4-2-1-3-5-15/h1-13,27H,(H,26,28) |
| InChIK | FILSLRYBXCLPMP-UHFFFAOYSA-N |
| TotalMolweight | 516.802 |
| Molweight | 516.802 |
| MonoisotopicMass | 514.9706 |
| CLogP | 4.6186 |
| CLogS | -6.673 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 342.5 |
| Relative PSA | 0.22803 |
| PolarSurfaceArea | 107.44 |
| Druglikeness | -4.014 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | twice activated DB |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
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1 - (E)-N-[3-[(4-bromophenyl)sulfamoyl]-4-chlorophenyl]-2-cyano-3-phenylprop-2-enamide | 2 - (E)-N-[3-[(4-bromophenyl)sulfamoyl]-4-chlorophenyl]-2-cyano-3-phenylprop-2-enamide
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