N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-bromobenzenesulfonamide
Formula:C14H11N2O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-bromobenzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-bromobenzenesulfonamide |
| MolecularFormula | C14H11N2O4BrS |
| Smiles | O=S(c(cc1)ccc1Br)(N/N=C\c(cc1)cc2c1OCO2)=O |
| InChI | InChI=1S/C14H11BrN2O4S/c15-11-2-4-12(5-3-11)22(18,19)17-16-8-10-1-6-13-14(7-10)21-9-20-13/h1-8,17H,9H2 |
| InChIK | PUODPXNEIUFTQS-UHFFFAOYSA-N |
| TotalMolweight | 383.221 |
| Molweight | 383.221 |
| MonoisotopicMass | 381.962289 |
| CLogP | 3.1137 |
| CLogS | -3.461 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 236.71 |
| Relative PSA | 0.30227 |
| PolarSurfaceArea | 85.37 |
| Druglikeness | 0.905 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| StereoCon |
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