2-[(2Z)-2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(4-chlorophenyl)-5-nitrobenzenesulfonamide
Formula:C21H15N4O6ClF4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2Z)-2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(4-chlorophenyl)-5-nitrobenzenesulfonamide is not a drug-like molecule.
| MolName | 2-[(2Z)-2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(4-chlorophenyl)-5-nitrobenzenesulfonamide |
| MolecularFormula | C21H15N4O6ClF4S |
| Smiles | [O-][N+](c(cc1)cc(S(Nc(cc2)ccc2Cl)(=O)=O)c1N/N=C\c(ccc(OC(F)F)c1)c1OC(F)F)=O |
| InChI | InChI=1S/C21H15ClF4N4O6S/c22-13-2-4-14(5-3-13)29-37(33,34)19-9-15(30(31)32)6-8-17(19)28-27-11-12-1-7-16(35-20(23)24)10-18(12)36-21(25)26/h1-11,20-21,28-29H |
| InChIK | PKBSTTIUVHUPAN-UHFFFAOYSA-N |
| TotalMolweight | 562.883 |
| Molweight | 562.883 |
| MonoisotopicMass | 562.033695 |
| CLogP | 5.1632 |
| CLogS | -6.922 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 378.53 |
| Relative PSA | 0.29966 |
| PolarSurfaceArea | 143.22 |
| Druglikeness | -6.1534 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 16 |
| Electronegative Atoms | 16 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(2Z)-2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(4-chlorophenyl)-5-nitrobenzenesulfonamide | 2 - 2-[(2Z)-2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(4-chlorophenyl)-5-nitrobenzenesulfonamide
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