4-(benzenesulfonamido)-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
Formula:C27H22N3O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(benzenesulfonamido)-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-(benzenesulfonamido)-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide |
| MolecularFormula | C27H22N3O4ClS |
| Smiles | O=C(c(cc1)ccc1NS(c1ccccc1)(=O)=O)N/N=C\c1cccc(OCc(cc2)ccc2Cl)c1 |
| InChI | InChI=1S/C27H22ClN3O4S/c28-23-13-9-20(10-14-23)19-35-25-6-4-5-21(17-25)18-29-30-27(32)22-11-15-24(16-12-22)31-36(33,34)26-7-2-1-3-8-26/h1-18,31H,19H2,(H,30,32) |
| InChIK | KKTFJFZIQWTUNN-UHFFFAOYSA-N |
| TotalMolweight | 520.008 |
| Molweight | 520.008 |
| MonoisotopicMass | 519.101954 |
| CLogP | 5.4548 |
| CLogS | -7.131 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 385.73 |
| Relative PSA | 0.22308 |
| PolarSurfaceArea | 105.24 |
| Druglikeness | -0.7582 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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1 - 4-(benzenesulfonamido)-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide | 2 - 4-(benzenesulfonamido)-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
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