N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-chlorobenzenesulfonamide
Formula:C14H10N2O4BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-chlorobenzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-chlorobenzenesulfonamide |
| MolecularFormula | C14H10N2O4BrClS |
| Smiles | O=S(c(cc1)ccc1Cl)(N/N=C\c(cc1OCOc1c1)c1Br)=O |
| InChI | InChI=1S/C14H10BrClN2O4S/c15-12-6-14-13(21-8-22-14)5-9(12)7-17-18-23(19,20)11-3-1-10(16)2-4-11/h1-7,18H,8H2 |
| InChIK | BAYLIHYWANRVCN-UHFFFAOYSA-N |
| TotalMolweight | 417.666 |
| Molweight | 417.666 |
| MonoisotopicMass | 415.923316 |
| CLogP | 3.7197 |
| CLogS | -4.197 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 252.13 |
| Relative PSA | 0.28378 |
| PolarSurfaceArea | 85.37 |
| Druglikeness | 1.5956 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-chlorobenzenesulfonamide | 2 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-chlorobenzenesulfonamide
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