4-chloro-N-[(Z)-(3-chlorophenyl)methylideneamino]-3-sulfamoylbenzamide
Formula:C14H11N3O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-chloro-N-[(Z)-(3-chlorophenyl)methylideneamino]-3-sulfamoylbenzamide is a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-(3-chlorophenyl)methylideneamino]-3-sulfamoylbenzamide |
| MolecularFormula | C14H11N3O3Cl2S |
| Smiles | NS(c(cc(cc1)C(N/N=C\c2cc(Cl)ccc2)=O)c1Cl)(=O)=O |
| InChI | InChI=1S/C14H11Cl2N3O3S/c15-11-3-1-2-9(6-11)8-18-19-14(20)10-4-5-12(16)13(7-10)23(17,21)22/h1-8H,(H,19,20)(H2,17,21,22) |
| InChIK | MWMHWFIKNIKMPN-UHFFFAOYSA-N |
| TotalMolweight | 372.231 |
| Molweight | 372.231 |
| MonoisotopicMass | 370.989816 |
| CLogP | 3.1776 |
| CLogS | -5.092 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 254.93 |
| Relative PSA | 0.31326 |
| PolarSurfaceArea | 110 |
| Druglikeness | 5.3239 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - 4-chloro-N-[(Z)-(3-chlorophenyl)methylideneamino]-3-sulfamoylbenzamide | 2 - 4-chloro-N-[(Z)-(3-chlorophenyl)methylideneamino]-3-sulfamoylbenzamide
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