3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
Formula:C20H15N3O3ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide |
| MolecularFormula | C20H15N3O3ClFS |
| Smiles | O=C(c1cccc(S(Nc(cccc2)c2Cl)(=O)=O)c1)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C20H15ClFN3O3S/c21-18-6-1-2-7-19(18)25-29(27,28)17-5-3-4-15(12-17)20(26)24-23-13-14-8-10-16(22)11-9-14/h1-13,25H,(H,24,26) |
| InChIK | SESMQIHVMMSTJA-UHFFFAOYSA-N |
| TotalMolweight | 431.874 |
| Molweight | 431.874 |
| MonoisotopicMass | 431.050667 |
| CLogP | 4.2075 |
| CLogS | -6.104 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 308.56 |
| Relative PSA | 0.24647 |
| PolarSurfaceArea | 96.01 |
| Druglikeness | 0.15892 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide | 2 - 3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
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