4-bromo-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]benzenesulfonamide
Formula:C14H11N2O3BrF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]benzenesulfonamide |
| MolecularFormula | C14H11N2O3BrF2S |
| Smiles | O=S(c(cc1)ccc1Br)(N/N=C\c(cc1)ccc1OC(F)F)=O |
| InChI | InChI=1S/C14H11BrF2N2O3S/c15-11-3-7-13(8-4-11)23(20,21)19-18-9-10-1-5-12(6-2-10)22-14(16)17/h1-9,14,19H |
| InChIK | PCPQHYCMVHLPSA-UHFFFAOYSA-N |
| TotalMolweight | 405.218 |
| Molweight | 405.218 |
| MonoisotopicMass | 403.96418 |
| CLogP | 3.1717 |
| CLogS | -3.372 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 251.65 |
| Relative PSA | 0.24459 |
| PolarSurfaceArea | 76.14 |
| Druglikeness | -1.6783 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - 4-bromo-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]benzenesulfonamide | 2 - 4-bromo-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]benzenesulfonamide
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