N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-[(2-chlorophenyl)sulfamoyl]benzamide
Formula:C22H17N3O3BrClS
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-[(2-chlorophenyl)sulfamoyl]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-[(2-chlorophenyl)sulfamoyl]benzamide |
| MolecularFormula | C22H17N3O3BrClS |
| Smiles | O=C(c1cc(S(Nc(cccc2)c2Cl)(=O)=O)ccc1)N/N=C\C(\Br)=C\c1ccccc1 |
| InChI | InChI=1S/C22H17BrClN3O3S/c23-18(13-16-7-2-1-3-8-16)15-25-26-22(28)17-9-6-10-19(14-17)31(29,30)27-21-12-5-4-11-20(21)24/h1-15,27H,(H,26,28) |
| InChIK | SXIYELLWPSLVFH-UHFFFAOYSA-N |
| TotalMolweight | 518.818 |
| Molweight | 518.818 |
| MonoisotopicMass | 516.98625 |
| CLogP | 4.7176 |
| CLogS | -6.915 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 345.55 |
| Relative PSA | 0.22008 |
| PolarSurfaceArea | 96.01 |
| Druglikeness | -5.0726 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-[(2-chlorophenyl)sulfamoyl]benzamide | 2 - N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-[(2-chlorophenyl)sulfamoyl]benzamide
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