3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
Formula:C19H15N4O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide |
| MolecularFormula | C19H15N4O3ClS |
| Smiles | O=C(c1cccc(S(Nc(cc2)ccc2Cl)(=O)=O)c1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C19H15ClN4O3S/c20-16-4-6-17(7-5-16)24-28(26,27)18-3-1-2-15(12-18)19(25)23-22-13-14-8-10-21-11-9-14/h1-13,24H,(H,23,25) |
| InChIK | KGKQERXOCXSQFN-UHFFFAOYSA-N |
| TotalMolweight | 414.872 |
| Molweight | 414.872 |
| MonoisotopicMass | 414.055338 |
| CLogP | 3.1058 |
| CLogS | -4.995 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 300.97 |
| Relative PSA | 0.28913 |
| PolarSurfaceArea | 108.9 |
| Druglikeness | 1.4294 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide | 2 - 3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
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