2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
Formula:C28H23N3O4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide |
| MolecularFormula | C28H23N3O4Cl2S |
| Smiles | O=C(CN(c(cc1)ccc1Cl)S(c1ccccc1)(=O)=O)N/N=C\c(cccc1)c1OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C28H23Cl2N3O4S/c29-23-12-10-21(11-13-23)20-37-27-9-5-4-6-22(27)18-31-32-28(34)19-33(25-16-14-24(30)15-17-25)38(35,36)26-7-2-1-3-8-26/h1-18H,19-20H2,(H,32,34) |
| InChIK | CDMRJWOAQJARMX-UHFFFAOYSA-N |
| TotalMolweight | 568.48 |
| Molweight | 568.48 |
| MonoisotopicMass | 567.078631 |
| CLogP | 5.6109 |
| CLogS | -7.739 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 413.75 |
| Relative PSA | 0.18886 |
| PolarSurfaceArea | 96.45 |
| Druglikeness | 0.427 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off