| MolName | (E)-3-(4-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide |
| MolecularFormula | C16H15N2O3ClS |
| Smiles | NS(c1ccc(CNC(/C=C/c(cc2)ccc2Cl)=O)cc1)(=O)=O |
| InChI | InChI=1S/C16H15ClN2O3S/c17-14-6-1-12(2-7-14)5-10-16(20)19-11-13-3-8-15(9-4-13)23(18,21)22/h1-10H,11H2,(H,19,20)(H2,18,21,22) |
| InChIK | CYSWFFDIWZCECW-UHFFFAOYSA-N |
| TotalMolweight | 350.825 |
| Molweight | 350.825 |
| MonoisotopicMass | 350.04919 |
| CLogP | 2.2157 |
| CLogS | -3.949 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 255.01 |
| Relative PSA | 0.26803 |
| PolarSurfaceArea | 97.64 |
| Druglikeness | 3.2379 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(4-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide | 2 - (E)-3-(4-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide