N-[(Z)-(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]benzenesulfonamide
Formula:C16H13N2O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]benzenesulfonamide |
| MolecularFormula | C16H13N2O3BrS |
| Smiles | C#CCOc(cc1)cc(/C=N\NS(c2ccccc2)(=O)=O)c1Br |
| InChI | InChI=1S/C16H13BrN2O3S/c1-2-10-22-14-8-9-16(17)13(11-14)12-18-19-23(20,21)15-6-4-3-5-7-15/h1,3-9,11-12,19H,10H2 |
| InChIK | DWIXXQHUJQPDDS-UHFFFAOYSA-N |
| TotalMolweight | 393.26 |
| Molweight | 393.26 |
| MonoisotopicMass | 391.983024 |
| CLogP | 2.9595 |
| CLogS | -3.392 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 264.02 |
| Relative PSA | 0.23313 |
| PolarSurfaceArea | 76.14 |
| Druglikeness | -6.8183 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
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