N-(2-chlorophenyl)-2-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-5-nitrobenzenesulfonamide
Formula:C21H17N4O6ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-chlorophenyl)-2-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-5-nitrobenzenesulfonamide is a drug-like molecule.
| MolName | N-(2-chlorophenyl)-2-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-5-nitrobenzenesulfonamide |
| MolecularFormula | C21H17N4O6ClS |
| Smiles | [O-][N+](c(cc1)cc(S(Nc(cccc2)c2Cl)(=O)=O)c1N/N=C\c(cc1)cc2c1OCCO2)=O |
| InChI | InChI=1S/C21H17ClN4O6S/c22-16-3-1-2-4-17(16)25-33(29,30)21-12-15(26(27)28)6-7-18(21)24-23-13-14-5-8-19-20(11-14)32-10-9-31-19/h1-8,11-13,24-25H,9-10H2 |
| InChIK | CKKKHKCUGSTHTG-UHFFFAOYSA-N |
| TotalMolweight | 488.907 |
| Molweight | 488.907 |
| MonoisotopicMass | 488.055733 |
| CLogP | 4.8032 |
| CLogS | -5.86 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 342.15 |
| Relative PSA | 0.33152 |
| PolarSurfaceArea | 143.22 |
| Druglikeness | -9.5797 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-(2-chlorophenyl)-2-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-5-nitrobenzenesulfonamide | 2 - N-(2-chlorophenyl)-2-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-5-nitrobenzenesulfonamide
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