N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]benzenesulfonamide
Formula:C20H14N5O8ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]benzenesulfonamide is not a drug-like molecule.
| MolName | N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]benzenesulfonamide |
| MolecularFormula | C20H14N5O8ClS |
| Smiles | [O-][N+](c(cc1)cc(S(Nc(cccc2)c2Cl)(=O)=O)c1N/N=C\c(cc1OCOc1c1)c1[N+]([O-])=O)=O |
| InChI | InChI=1S/C20H14ClN5O8S/c21-14-3-1-2-4-15(14)24-35(31,32)20-8-13(25(27)28)5-6-16(20)23-22-10-12-7-18-19(34-11-33-18)9-17(12)26(29)30/h1-10,23-24H,11H2 |
| InChIK | XEKKGAPQVJRZOC-UHFFFAOYSA-N |
| TotalMolweight | 519.877 |
| Molweight | 519.877 |
| MonoisotopicMass | 519.025162 |
| CLogP | 4.0142 |
| CLogS | -6.849 |
| H Acceptors | 13 |
| H Donors | 2 |
| TotalSurfaceArea | 352.06 |
| Relative PSA | 0.4086 |
| PolarSurfaceArea | 189.04 |
| Druglikeness | -4.0908 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 15 |
| Electronegative Atoms | 15 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]benzenesulfonamide | 2 - N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]benzenesulfonamide
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