4-bromo-N-[(Z)-naphthalen-1-ylmethylideneamino]benzenesulfonamide
Formula:C17H13N2O2BrS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-bromo-N-[(Z)-naphthalen-1-ylmethylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-naphthalen-1-ylmethylideneamino]benzenesulfonamide |
| MolecularFormula | C17H13N2O2BrS |
| Smiles | O=S(c(cc1)ccc1Br)(N/N=C\c1cccc2ccccc12)=O |
| InChI | InChI=1S/C17H13BrN2O2S/c18-15-8-10-16(11-9-15)23(21,22)20-19-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-12,20H |
| InChIK | QORIWQQTYVVXNV-UHFFFAOYSA-N |
| TotalMolweight | 389.272 |
| Molweight | 389.272 |
| MonoisotopicMass | 387.988109 |
| CLogP | 4.1967 |
| CLogS | -4.356 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 251.05 |
| Relative PSA | 0.20534 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | 0.22844 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - 4-bromo-N-[(Z)-naphthalen-1-ylmethylideneamino]benzenesulfonamide | 2 - 4-bromo-N-[(Z)-naphthalen-1-ylmethylideneamino]benzenesulfonamide
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