(E)-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(3-fluorophenyl)prop-2-enamide
Formula:C21H15N2O3Cl2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(3-fluorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(3-fluorophenyl)prop-2-enamide |
| MolecularFormula | C21H15N2O3Cl2FS |
| Smiles | O=C(/C=C/c1cc(F)ccc1)Nc(cc1)cc(S(Nc(cccc2)c2Cl)(=O)=O)c1Cl |
| InChI | InChI=1S/C21H15Cl2FN2O3S/c22-17-6-1-2-7-19(17)26-30(28,29)20-13-16(9-10-18(20)23)25-21(27)11-8-14-4-3-5-15(24)12-14/h1-13,26H,(H,25,27) |
| InChIK | MPXWEJGWTBIRHE-UHFFFAOYSA-N |
| TotalMolweight | 465.331 |
| Molweight | 465.331 |
| MonoisotopicMass | 464.016445 |
| CLogP | 4.7482 |
| CLogS | -6.617 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 325.72 |
| Relative PSA | 0.19815 |
| PolarSurfaceArea | 83.65 |
| Druglikeness | -2.0641 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| Amides | 2 |
| StereoCon |
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1 - (E)-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(3-fluorophenyl)prop-2-enamide | 2 - (E)-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(3-fluorophenyl)prop-2-enamide
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