N-(2-chlorophenyl)-2-[(2E)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
Formula:C20H15N4O5ClF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-chlorophenyl)-2-[(2E)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-5-nitrobenzenesulfonamide is a drug-like molecule.
| MolName | N-(2-chlorophenyl)-2-[(2E)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-5-nitrobenzenesulfonamide |
| MolecularFormula | C20H15N4O5ClF2S |
| Smiles | [O-][N+](c(cc1)cc(S(Nc(cccc2)c2Cl)(=O)=O)c1N/N=C/c(cccc1)c1OC(F)F)=O |
| InChI | InChI=1S/C20H15ClF2N4O5S/c21-15-6-2-3-7-16(15)26-33(30,31)19-11-14(27(28)29)9-10-17(19)25-24-12-13-5-1-4-8-18(13)32-20(22)23/h1-12,20,25-26H |
| InChIK | GRHDGYJZNONGOX-UHFFFAOYSA-N |
| TotalMolweight | 496.877 |
| Molweight | 496.877 |
| MonoisotopicMass | 496.041974 |
| CLogP | 4.9938 |
| CLogS | -6.3 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 343.33 |
| Relative PSA | 0.30126 |
| PolarSurfaceArea | 133.99 |
| Druglikeness | -5.0542 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-(2-chlorophenyl)-2-[(2E)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-5-nitrobenzenesulfonamide | 2 - N-(2-chlorophenyl)-2-[(2E)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off