N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]benzamide
Formula:C21H17NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]benzamide is a drug-like molecule.
| MolName | N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]benzamide |
| MolecularFormula | C21H17NO3S |
| Smiles | O=C(c1ccccc1)N/C(/S(c1ccccc1)(=O)=O)=C\c1ccccc1 |
| InChI | InChI=1S/C21H17NO3S/c23-21(18-12-6-2-7-13-18)22-20(16-17-10-4-1-5-11-17)26(24,25)19-14-8-3-9-15-19/h1-16H,(H,22,23) |
| InChIK | FHNHTWQPBGWVJX-UHFFFAOYSA-N |
| TotalMolweight | 363.436 |
| Molweight | 363.436 |
| MonoisotopicMass | 363.092914 |
| CLogP | 3.8347 |
| CLogS | -5.28 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 275.28 |
| Relative PSA | 0.19282 |
| PolarSurfaceArea | 71.62 |
| Druglikeness | -8.0062 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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