N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-[(4-chlorophenyl)sulfonylamino]benzamide
Formula:C21H16N3O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-[(4-chlorophenyl)sulfonylamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-[(4-chlorophenyl)sulfonylamino]benzamide |
| MolecularFormula | C21H16N3O5ClS |
| Smiles | O=C(c(cc1)ccc1NS(c(cc1)ccc1Cl)(=O)=O)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C21H16ClN3O5S/c22-16-4-8-18(9-5-16)31(27,28)25-17-6-2-15(3-7-17)21(26)24-23-12-14-1-10-19-20(11-14)30-13-29-19/h1-12,25H,13H2,(H,24,26) |
| InChIK | QQBUJJXGDTYOLV-UHFFFAOYSA-N |
| TotalMolweight | 457.893 |
| Molweight | 457.893 |
| MonoisotopicMass | 457.049919 |
| CLogP | 4.2181 |
| CLogS | -6.501 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 322.47 |
| Relative PSA | 0.29786 |
| PolarSurfaceArea | 114.47 |
| Druglikeness | 6.9103 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-[(4-chlorophenyl)sulfonylamino]benzamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-[(4-chlorophenyl)sulfonylamino]benzamide
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