4-bromo-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]benzenesulfonamide
Formula:C13H9N3O4BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]benzenesulfonamide |
| MolecularFormula | C13H9N3O4BrClS |
| Smiles | [O-][N+](c(cc(/C=N\NS(c(cc1)ccc1Br)(=O)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C13H9BrClN3O4S/c14-10-2-4-11(5-3-10)23(21,22)17-16-8-9-1-6-12(15)13(7-9)18(19)20/h1-8,17H |
| InChIK | QMENHQMWJFCLKI-UHFFFAOYSA-N |
| TotalMolweight | 418.654 |
| Molweight | 418.654 |
| MonoisotopicMass | 416.918565 |
| CLogP | 2.6867 |
| CLogS | -3.946 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 255.54 |
| Relative PSA | 0.32077 |
| PolarSurfaceArea | 112.73 |
| Druglikeness | -6.9293 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-bromo-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]benzenesulfonamide | 2 - 4-bromo-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]benzenesulfonamide
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