N-(4-bromo-2-fluorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
Formula:C17H18N2O3BrFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-bromo-2-fluorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide is a drug-like molecule.
| MolName | N-(4-bromo-2-fluorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide |
| MolecularFormula | C17H18N2O3BrFS |
| Smiles | Cc(cc1C)cc(C)c1S(NCC(Nc(ccc(Br)c1)c1F)=O)(=O)=O |
| InChI | InChI=1S/C17H18BrFN2O3S/c1-10-6-11(2)17(12(3)7-10)25(23,24)20-9-16(22)21-15-5-4-13(18)8-14(15)19/h4-8,20H,9H2,1-3H3,(H,21,22) |
| InChIK | SQEZQILHRPPGRT-UHFFFAOYSA-N |
| TotalMolweight | 429.309 |
| Molweight | 429.309 |
| MonoisotopicMass | 428.020552 |
| CLogP | 3.4351 |
| CLogS | -4.623 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 277.79 |
| Relative PSA | 0.23233 |
| PolarSurfaceArea | 83.65 |
| Druglikeness | -10.418 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-(4-bromo-2-fluorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide | 2 - N-(4-bromo-2-fluorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off