N'-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboximidamide
Formula:C14H10N4O2F6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboximidamide is a drug-like molecule.
| MolName | N'-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboximidamide |
| MolecularFormula | C14H10N4O2F6S |
| Smiles | N/C(/c1ncccc1)=N/NS(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(=O)=O |
| InChI | InChI=1S/C14H10F6N4O2S/c15-13(16,17)8-5-9(14(18,19)20)7-10(6-8)27(25,26)24-23-12(21)11-3-1-2-4-22-11/h1-7,24H,(H2,21,23) |
| InChIK | VZGIBHYFTFEOPV-UHFFFAOYSA-N |
| TotalMolweight | 412.313 |
| Molweight | 412.313 |
| MonoisotopicMass | 412.042864 |
| CLogP | 2.1808 |
| CLogS | -2.466 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 262.23 |
| Relative PSA | 0.29665 |
| PolarSurfaceArea | 105.82 |
| Druglikeness | -21.135 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 9 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N'-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboximidamide | 2 - N'-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboximidamide
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