N'-(benzenesulfonamido)-5-(trifluoromethyl)pyridine-2-carboximidamide
Formula:C13H11N4O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(benzenesulfonamido)-5-(trifluoromethyl)pyridine-2-carboximidamide is a drug-like molecule.
| MolName | N'-(benzenesulfonamido)-5-(trifluoromethyl)pyridine-2-carboximidamide |
| MolecularFormula | C13H11N4O2F3S |
| Smiles | N/C(/c1ncc(C(F)(F)F)cc1)=N/NS(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C13H11F3N4O2S/c14-13(15,16)9-6-7-11(18-8-9)12(17)19-20-23(21,22)10-4-2-1-3-5-10/h1-8,20H,(H2,17,19) |
| InChIK | ZOVHTFWBTHEBFN-UHFFFAOYSA-N |
| TotalMolweight | 344.316 |
| Molweight | 344.316 |
| MonoisotopicMass | 344.05548 |
| CLogP | 1.3325 |
| CLogS | -1.688 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 232.77 |
| Relative PSA | 0.33419 |
| PolarSurfaceArea | 105.82 |
| Druglikeness | -13.43 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N'-(benzenesulfonamido)-5-(trifluoromethyl)pyridine-2-carboximidamide | 2 - N'-(benzenesulfonamido)-5-(trifluoromethyl)pyridine-2-carboximidamide
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