4-bromo-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzenesulfonamide
Formula:C15H13N2O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzenesulfonamide |
| MolecularFormula | C15H13N2O4BrS |
| Smiles | O=S(c(cc1)ccc1Br)(N/N=C\c(cc1)cc2c1OCCO2)=O |
| InChI | InChI=1S/C15H13BrN2O4S/c16-12-2-4-13(5-3-12)23(19,20)18-17-10-11-1-6-14-15(9-11)22-8-7-21-14/h1-6,9-10,18H,7-8H2 |
| InChIK | HDVRMTLZVIVPIM-UHFFFAOYSA-N |
| TotalMolweight | 397.248 |
| Molweight | 397.248 |
| MonoisotopicMass | 395.977939 |
| CLogP | 2.9811 |
| CLogS | -2.932 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 250.47 |
| Relative PSA | 0.28566 |
| PolarSurfaceArea | 85.37 |
| Druglikeness | -6.1114 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - 4-bromo-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzenesulfonamide | 2 - 4-bromo-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzenesulfonamide
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