3-[(4-chlorophenyl)sulfonylmethyl]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,2,4-oxadiazole-5-carboxamide
Formula:C17H11N4O4Cl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-[(4-chlorophenyl)sulfonylmethyl]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,2,4-oxadiazole-5-carboxamide is a drug-like molecule.
| MolName | 3-[(4-chlorophenyl)sulfonylmethyl]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,2,4-oxadiazole-5-carboxamide |
| MolecularFormula | C17H11N4O4Cl3S |
| Smiles | O=C(c1nc(CS(c(cc2)ccc2Cl)(=O)=O)no1)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C17H11Cl3N4O4S/c18-10-4-6-11(7-5-10)29(26,27)9-15-22-17(28-24-15)16(25)23-21-8-12-13(19)2-1-3-14(12)20/h1-8H,9H2,(H,23,25) |
| InChIK | YWOIYOSCSACAGA-UHFFFAOYSA-N |
| TotalMolweight | 473.723 |
| Molweight | 473.723 |
| MonoisotopicMass | 471.956657 |
| CLogP | 3.5714 |
| CLogS | -5.969 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 322.56 |
| Relative PSA | 0.312 |
| PolarSurfaceArea | 122.9 |
| Druglikeness | 4.5328 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 3-[(4-chlorophenyl)sulfonylmethyl]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,2,4-oxadiazole-5-carboxamide | 2 - 3-[(4-chlorophenyl)sulfonylmethyl]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,2,4-oxadiazole-5-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off