N-[(Z)-1-(2-chlorophenyl)-3-oxo-3-(4-sulfamoylanilino)prop-1-en-2-yl]benzamide
Formula:C22H18N3O4ClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-1-(2-chlorophenyl)-3-oxo-3-(4-sulfamoylanilino)prop-1-en-2-yl]benzamide is a drug-like molecule.
| MolName | N-[(Z)-1-(2-chlorophenyl)-3-oxo-3-(4-sulfamoylanilino)prop-1-en-2-yl]benzamide |
| MolecularFormula | C22H18N3O4ClS |
| Smiles | NS(c(cc1)ccc1NC(/C(/NC(c1ccccc1)=O)=C/c(cccc1)c1Cl)=O)(=O)=O |
| InChI | InChI=1S/C22H18ClN3O4S/c23-19-9-5-4-8-16(19)14-20(26-21(27)15-6-2-1-3-7-15)22(28)25-17-10-12-18(13-11-17)31(24,29)30/h1-14H,(H,25,28)(H,26,27)(H2,24,29,30) |
| InChIK | SFVTZESDFSUVJS-UHFFFAOYSA-N |
| TotalMolweight | 455.921 |
| Molweight | 455.921 |
| MonoisotopicMass | 455.070654 |
| CLogP | 3.7938 |
| CLogS | -5.508 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 328.43 |
| Relative PSA | 0.28271 |
| PolarSurfaceArea | 126.74 |
| Druglikeness | 6.1984 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 3 |
| StereoCon |
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