N'-(benzenesulfonyl)-4-chloro-N-(3-chloro-4-fluorophenyl)benzenecarboximidamide
Formula:C19H13N2O2Cl2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(benzenesulfonyl)-4-chloro-N-(3-chloro-4-fluorophenyl)benzenecarboximidamide is not a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-4-chloro-N-(3-chloro-4-fluorophenyl)benzenecarboximidamide |
| MolecularFormula | C19H13N2O2Cl2FS |
| Smiles | O=S(c1ccccc1)(/N=C(\c(cc1)ccc1Cl)/Nc(cc1)cc(Cl)c1F)=O |
| InChI | InChI=1S/C19H13Cl2FN2O2S/c20-14-8-6-13(7-9-14)19(23-15-10-11-18(22)17(21)12-15)24-27(25,26)16-4-2-1-3-5-16/h1-12H,(H,23,24) |
| InChIK | WRHVPWLSMDIDFS-UHFFFAOYSA-N |
| TotalMolweight | 423.294 |
| Molweight | 423.294 |
| MonoisotopicMass | 422.00588 |
| CLogP | 5.3225 |
| CLogS | -6.006 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 292.98 |
| Relative PSA | 0.17595 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | -8.6524 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-(benzenesulfonyl)-4-chloro-N-(3-chloro-4-fluorophenyl)benzenecarboximidamide | 2 - N'-(benzenesulfonyl)-4-chloro-N-(3-chloro-4-fluorophenyl)benzenecarboximidamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off