N-(3-chlorophenyl)-4-[(2Z)-2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide
Formula:C21H16N4O4ClFS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-chlorophenyl)-4-[(2Z)-2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide is not a drug-like molecule.
| MolName | N-(3-chlorophenyl)-4-[(2Z)-2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide |
| MolecularFormula | C21H16N4O4ClFS2 |
| Smiles | [O-][N+](c(cc(cc1)S(Nc2cccc(Cl)c2)(=O)=O)c1N/N=C1\c(cc(cc2)F)c2SCC1)=O |
| InChI | InChI=1S/C21H16ClFN4O4S2/c22-13-2-1-3-15(10-13)26-33(30,31)16-5-6-19(20(12-16)27(28)29)25-24-18-8-9-32-21-7-4-14(23)11-17(18)21/h1-7,10-12,25-26H,8-9H2 |
| InChIK | AJWUCGREFUXRHE-UHFFFAOYSA-N |
| TotalMolweight | 506.965 |
| Molweight | 506.965 |
| MonoisotopicMass | 506.028551 |
| CLogP | 4.6306 |
| CLogS | -7.248 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 344.2 |
| Relative PSA | 0.32225 |
| PolarSurfaceArea | 150.06 |
| Druglikeness | -5.8454 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-(3-chlorophenyl)-4-[(2Z)-2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide | 2 - N-(3-chlorophenyl)-4-[(2Z)-2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off