N-(2-bromophenyl)quinoline-8-sulfonamide
Formula:C15H11N2O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-bromophenyl)quinoline-8-sulfonamide is a drug-like molecule.
| MolName | N-(2-bromophenyl)quinoline-8-sulfonamide |
| MolecularFormula | C15H11N2O2BrS |
| Smiles | O=S(c1cccc2cccnc12)(Nc(cccc1)c1Br)=O |
| InChI | InChI=1S/C15H11BrN2O2S/c16-12-7-1-2-8-13(12)18-21(19,20)14-9-3-5-11-6-4-10-17-15(11)14/h1-10,18H |
| InChIK | SKWPMLLBLRFMJW-UHFFFAOYSA-N |
| TotalMolweight | 363.234 |
| Molweight | 363.234 |
| MonoisotopicMass | 361.972459 |
| CLogP | 2.9999 |
| CLogS | -4.489 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 225.05 |
| Relative PSA | 0.22666 |
| PolarSurfaceArea | 67.44 |
| Druglikeness | -2.4679 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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