3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
Formula:C18H14N3O3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide |
| MolecularFormula | C18H14N3O3ClS2 |
| Smiles | O=C(c1cccc(S(Nc(cc2)ccc2Cl)(=O)=O)c1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C18H14ClN3O3S2/c19-14-6-8-15(9-7-14)22-27(24,25)17-5-1-3-13(11-17)18(23)21-20-12-16-4-2-10-26-16/h1-12,22H,(H,21,23) |
| InChIK | AKTDZBWEHCENQD-UHFFFAOYSA-N |
| TotalMolweight | 419.912 |
| Molweight | 419.912 |
| MonoisotopicMass | 419.016509 |
| CLogP | 3.9733 |
| CLogS | -5.8 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 298.15 |
| Relative PSA | 0.32336 |
| PolarSurfaceArea | 124.25 |
| Druglikeness | 3.0024 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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