4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
Formula:C14H10N2O2BrF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide |
| MolecularFormula | C14H10N2O2BrF3S |
| Smiles | O=S(c(cc1)ccc1Br)(N/N=C\c1ccc(C(F)(F)F)cc1)=O |
| InChI | InChI=1S/C14H10BrF3N2O2S/c15-12-5-7-13(8-6-12)23(21,22)20-19-9-10-1-3-11(4-2-10)14(16,17)18/h1-9,20H |
| InChIK | XEESEAVLJNAZCZ-UHFFFAOYSA-N |
| TotalMolweight | 407.209 |
| Molweight | 407.209 |
| MonoisotopicMass | 405.959843 |
| CLogP | 3.8506 |
| CLogS | -3.528 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 245.91 |
| Relative PSA | 0.20963 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | -6.848 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| 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 | 2 |
| Symmetricatoms | 7 |
| StereoCon |
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