(E)-3-(4-fluorophenyl)-N-[4-fluoro-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enamide
Formula:C22H15N2O3F5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-fluorophenyl)-N-[4-fluoro-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-fluorophenyl)-N-[4-fluoro-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enamide |
| MolecularFormula | C22H15N2O3F5S |
| Smiles | O=C(/C=C/c(cc1)ccc1F)Nc(cc1)cc(S(Nc2cc(C(F)(F)F)ccc2)(=O)=O)c1F |
| InChI | InChI=1S/C22H15F5N2O3S/c23-16-7-4-14(5-8-16)6-11-21(30)28-17-9-10-19(24)20(13-17)33(31,32)29-18-3-1-2-15(12-18)22(25,26)27/h1-13,29H,(H,28,30) |
| InChIK | YSABTUMYRVJOMA-UHFFFAOYSA-N |
| TotalMolweight | 482.428 |
| Molweight | 482.428 |
| MonoisotopicMass | 482.072353 |
| CLogP | 4.4853 |
| CLogS | -6.237 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 330.69 |
| Relative PSA | 0.19517 |
| PolarSurfaceArea | 83.65 |
| Druglikeness | -7.245 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
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1 - (E)-3-(4-fluorophenyl)-N-[4-fluoro-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enamide | 2 - (E)-3-(4-fluorophenyl)-N-[4-fluoro-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enamide
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