(E)-3-(4-fluorophenyl)-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]prop-2-enamide
Formula:C21H16N2O3FIS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-fluorophenyl)-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(4-fluorophenyl)-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]prop-2-enamide |
| MolecularFormula | C21H16N2O3FIS |
| Smiles | O=C(/C=C/c(cc1)ccc1F)Nc(cc1)ccc1S(Nc(cc1)ccc1I)(=O)=O |
| InChI | InChI=1S/C21H16FIN2O3S/c22-16-4-1-15(2-5-16)3-14-21(26)24-18-10-12-20(13-11-18)29(27,28)25-19-8-6-17(23)7-9-19/h1-14,25H,(H,24,26) |
| InChIK | GUMNNKBLGHMOQH-UHFFFAOYSA-N |
| TotalMolweight | 522.333 |
| Molweight | 522.333 |
| MonoisotopicMass | 521.991039 |
| CLogP | 3.9733 |
| CLogS | -6.161 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 321.16 |
| Relative PSA | 0.20096 |
| PolarSurfaceArea | 83.65 |
| Druglikeness | 2.8125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 7 |
| Amides | 2 |
| StereoCon |
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1 - (E)-3-(4-fluorophenyl)-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]prop-2-enamide | 2 - (E)-3-(4-fluorophenyl)-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]prop-2-enamide
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