3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
Formula:C27H22N3O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide |
| MolecularFormula | C27H22N3O4ClS |
| Smiles | O=C(c1cccc(S(Nc(cccc2)c2Cl)(=O)=O)c1)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C27H22ClN3O4S/c28-25-11-4-5-12-26(25)31-36(33,34)24-10-6-9-22(17-24)27(32)30-29-18-20-13-15-23(16-14-20)35-19-21-7-2-1-3-8-21/h1-18,31H,19H2,(H,30,32) |
| InChIK | XSIQTLPSJZTGEQ-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 | -7.4118 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63889 |
| 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 | 5 |
| Amides | 1 |
| StereoCon |
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1 - 3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide | 2 - 3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
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