| MolName | 3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide |
| MolecularFormula | C23H20N3O3ClS |
| Smiles | O=C(c1cccc(S(Nc(cccc2)c2Cl)(=O)=O)c1)N/N=C(\CCC1)/c2c1cccc2 |
| InChI | InChI=1S/C23H20ClN3O3S/c24-20-12-3-4-13-22(20)27-31(29,30)18-10-5-9-17(15-18)23(28)26-25-21-14-6-8-16-7-1-2-11-19(16)21/h1-5,7,9-13,15,27H,6,8,14H2,(H,26,28) |
| InChIK | XKVZEBSLILUFRY-UHFFFAOYSA-N |
| TotalMolweight | 453.949 |
| Molweight | 453.949 |
| MonoisotopicMass | 453.091389 |
| CLogP | 4.7794 |
| CLogS | -6.739 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 328.2 |
| Relative PSA | 0.23172 |
| PolarSurfaceArea | 96.01 |
| Druglikeness | -2.6248 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - 3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide | 2 - 3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide