3-nitro-4-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzenesulfonamide
Formula:C14H11N4O4F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-nitro-4-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzenesulfonamide is a drug-like molecule.
| MolName | 3-nitro-4-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzenesulfonamide |
| MolecularFormula | C14H11N4O4F3S |
| Smiles | NS(c(cc1)cc([N+]([O-])=O)c1N/N=C\c1cc(C(F)(F)F)ccc1)(=O)=O |
| InChI | InChI=1S/C14H11F3N4O4S/c15-14(16,17)10-3-1-2-9(6-10)8-19-20-12-5-4-11(26(18,24)25)7-13(12)21(22)23/h1-8,20H,(H2,18,24,25) |
| InChIK | OIBKFPNFFMYYBH-UHFFFAOYSA-N |
| TotalMolweight | 388.325 |
| Molweight | 388.325 |
| MonoisotopicMass | 388.04531 |
| CLogP | 3.5316 |
| CLogS | -4.286 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 259.47 |
| Relative PSA | 0.37476 |
| PolarSurfaceArea | 138.75 |
| Druglikeness | -11.439 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-nitro-4-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzenesulfonamide | 2 - 3-nitro-4-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzenesulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off