4-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
Formula:C20H15N4O6ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide is a drug-like molecule.
| MolName | 4-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide |
| MolecularFormula | C20H15N4O6ClS |
| Smiles | [O-][N+](c(cc(cc1)S(Nc(cc2)ccc2Cl)(=O)=O)c1N/N=C\c(cc1)cc2c1OCO2)=O |
| InChI | InChI=1S/C20H15ClN4O6S/c21-14-2-4-15(5-3-14)24-32(28,29)16-6-7-17(18(10-16)25(26)27)23-22-11-13-1-8-19-20(9-13)31-12-30-19/h1-11,23-24H,12H2 |
| InChIK | YDIDCTVKNFBXRX-UHFFFAOYSA-N |
| TotalMolweight | 474.88 |
| Molweight | 474.88 |
| MonoisotopicMass | 474.040083 |
| CLogP | 4.9358 |
| CLogS | -6.389 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 328.39 |
| Relative PSA | 0.34541 |
| PolarSurfaceArea | 143.22 |
| Druglikeness | -3.1504 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide | 2 - 4-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
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