(1Z)-N-(4-chloroanilino)-1-(4-chlorophenyl)sulfonylmethanimidoyl cyanide
Formula:C14H9N3O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(1Z)-N-(4-chloroanilino)-1-(4-chlorophenyl)sulfonylmethanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-N-(4-chloroanilino)-1-(4-chlorophenyl)sulfonylmethanimidoyl cyanide |
| MolecularFormula | C14H9N3O2Cl2S |
| Smiles | N#C/C(/S(c(cc1)ccc1Cl)(=O)=O)=N/Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C14H9Cl2N3O2S/c15-10-1-5-12(6-2-10)18-19-14(9-17)22(20,21)13-7-3-11(16)4-8-13/h1-8,18H |
| InChIK | ISOSSLLNACOOEX-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 | -2.0815 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| 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 | 5 |
| StereoCon |
Click to Load Molecule:
1 - (1Z)-N-(4-chloroanilino)-1-(4-chlorophenyl)sulfonylmethanimidoyl cyanide | 2 - (1Z)-N-(4-chloroanilino)-1-(4-chlorophenyl)sulfonylmethanimidoyl cyanide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off