(E)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
Formula:C21H17N2O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide |
| MolecularFormula | C21H17N2O3ClS |
| Smiles | O=C(/C=C/c1ccccc1)Nc1cccc(S(Nc(cc2)ccc2Cl)(=O)=O)c1 |
| InChI | InChI=1S/C21H17ClN2O3S/c22-17-10-12-18(13-11-17)24-28(26,27)20-8-4-7-19(15-20)23-21(25)14-9-16-5-2-1-3-6-16/h1-15,24H,(H,23,25) |
| InChIK | QRMFLHPRENYMSS-UHFFFAOYSA-N |
| TotalMolweight | 412.896 |
| Molweight | 412.896 |
| MonoisotopicMass | 412.06484 |
| CLogP | 4.0414 |
| CLogS | -5.567 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 303.95 |
| Relative PSA | 0.21234 |
| PolarSurfaceArea | 83.65 |
| Druglikeness | -3.7798 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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-chlorophenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide | 2 - (E)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
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