N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-3-nitrobenzenesulfonamide
Formula:C14H11N3O5F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-3-nitrobenzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-3-nitrobenzenesulfonamide |
| MolecularFormula | C14H11N3O5F2S |
| Smiles | [O-][N+](c1cccc(S(N/N=C\c(cc2)ccc2OC(F)F)(=O)=O)c1)=O |
| InChI | InChI=1S/C14H11F2N3O5S/c15-14(16)24-12-6-4-10(5-7-12)9-17-18-25(22,23)13-3-1-2-11(8-13)19(20)21/h1-9,14,18H |
| InChIK | DEVKDUGLUIUHTH-UHFFFAOYSA-N |
| TotalMolweight | 371.319 |
| Molweight | 371.319 |
| MonoisotopicMass | 371.038748 |
| CLogP | 1.5249 |
| CLogS | -2.998 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 256.69 |
| Relative PSA | 0.35829 |
| PolarSurfaceArea | 121.96 |
| Druglikeness | -8.7641 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-3-nitrobenzenesulfonamide | 2 - N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-3-nitrobenzenesulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off