| MolName | 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H12N5O3ClS2 |
| Smiles | O=C(CNS(c1cccc2nsnc12)(=O)=O)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C15H12ClN5O3S2/c16-11-6-4-10(5-7-11)8-17-19-14(22)9-18-26(23,24)13-3-1-2-12-15(13)21-25-20-12/h1-8,18H,9H2,(H,19,22) |
| InChIK | KFLCNRLWUZLYFP-UHFFFAOYSA-N |
| TotalMolweight | 409.877 |
| Molweight | 409.877 |
| MonoisotopicMass | 409.007007 |
| CLogP | 3.0945 |
| CLogS | -0.404 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 284.27 |
| Relative PSA | 0.41633 |
| PolarSurfaceArea | 150.03 |
| Druglikeness | 7.3156 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide | 2 - 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide