(E)-N-(3-sulfamoylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C16H13N2O3F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(3-sulfamoylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(3-sulfamoylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C16H13N2O3F3S |
| Smiles | NS(c1cc(NC(/C=C/c2cc(C(F)(F)F)ccc2)=O)ccc1)(=O)=O |
| InChI | InChI=1S/C16H13F3N2O3S/c17-16(18,19)12-4-1-3-11(9-12)7-8-15(22)21-13-5-2-6-14(10-13)25(20,23)24/h1-10H,(H,21,22)(H2,20,23,24) |
| InChIK | ZIROCASWBAPYJL-UHFFFAOYSA-N |
| TotalMolweight | 370.35 |
| Molweight | 370.35 |
| MonoisotopicMass | 370.059897 |
| CLogP | 2.7486 |
| CLogS | -4.175 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 255.29 |
| Relative PSA | 0.26773 |
| PolarSurfaceArea | 97.64 |
| Druglikeness | -10.976 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 2 |
| StereoCon |
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1 - (E)-N-(3-sulfamoylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide | 2 - (E)-N-(3-sulfamoylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
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