4-fluoro-N-[(Z)-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methylideneamino]benzenesulfonamide
Formula:C18H14N3O6FS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-fluoro-N-[(Z)-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-fluoro-N-[(Z)-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methylideneamino]benzenesulfonamide |
| MolecularFormula | C18H14N3O6FS |
| Smiles | [O-][N+](c(cc1)ccc1OCc1ccc(/C=N\NS(c(cc2)ccc2F)(=O)=O)o1)=O |
| InChI | InChI=1S/C18H14FN3O6S/c19-13-1-9-18(10-2-13)29(25,26)21-20-11-16-7-8-17(28-16)12-27-15-5-3-14(4-6-15)22(23)24/h1-11,21H,12H2 |
| InChIK | WKFFMQDUCMAXCJ-UHFFFAOYSA-N |
| TotalMolweight | 419.388 |
| Molweight | 419.388 |
| MonoisotopicMass | 419.058735 |
| CLogP | 2.0471 |
| CLogS | -3.737 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 301.05 |
| Relative PSA | 0.35237 |
| PolarSurfaceArea | 135.1 |
| Druglikeness | -10.681 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-fluoro-N-[(Z)-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methylideneamino]benzenesulfonamide | 2 - 4-fluoro-N-[(Z)-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methylideneamino]benzenesulfonamide
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