(1E)-N-(2-chloroanilino)-1-(4-chlorophenyl)sulfonylmethanimidoyl cyanide
Formula:C14H9N3O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1E)-N-(2-chloroanilino)-1-(4-chlorophenyl)sulfonylmethanimidoyl cyanide is a drug-like molecule.
| MolName | (1E)-N-(2-chloroanilino)-1-(4-chlorophenyl)sulfonylmethanimidoyl cyanide |
| MolecularFormula | C14H9N3O2Cl2S |
| Smiles | N#C/C(/S(c(cc1)ccc1Cl)(=O)=O)=N\Nc(cccc1)c1Cl |
| InChI | InChI=1S/C14H9Cl2N3O2S/c15-10-5-7-11(8-6-10)22(20,21)14(9-17)19-18-13-4-2-1-3-12(13)16/h1-8,18H |
| InChIK | RBSPLDQQULXVMP-UHFFFAOYSA-N |
| TotalMolweight | 354.216 |
| Molweight | 354.216 |
| MonoisotopicMass | 352.979251 |
| CLogP | 3.7405 |
| CLogS | -4.244 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 248.58 |
| Relative PSA | 0.26193 |
| PolarSurfaceArea | 90.7 |
| Druglikeness | -1.7681 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - (1E)-N-(2-chloroanilino)-1-(4-chlorophenyl)sulfonylmethanimidoyl cyanide | 2 - (1E)-N-(2-chloroanilino)-1-(4-chlorophenyl)sulfonylmethanimidoyl cyanide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off