N'-(benzenesulfonyl)-N-(4-bromophenyl)-2,2,2-trifluoroethanimidamide
Formula:C14H10N2O2BrF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(benzenesulfonyl)-N-(4-bromophenyl)-2,2,2-trifluoroethanimidamide is a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-N-(4-bromophenyl)-2,2,2-trifluoroethanimidamide |
| MolecularFormula | C14H10N2O2BrF3S |
| Smiles | O=S(c1ccccc1)(/N=C(\C(F)(F)F)/Nc(cc1)ccc1Br)=O |
| InChI | InChI=1S/C14H10BrF3N2O2S/c15-10-6-8-11(9-7-10)19-13(14(16,17)18)20-23(21,22)12-4-2-1-3-5-12/h1-9H,(H,19,20) |
| InChIK | IKSSWQBDWYBMTB-UHFFFAOYSA-N |
| TotalMolweight | 407.209 |
| Molweight | 407.209 |
| MonoisotopicMass | 405.959843 |
| CLogP | 3.7754 |
| CLogS | -4.624 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 244.12 |
| Relative PSA | 0.21117 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | -17.781 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| BasicNitrogens | 1 |
| StereoCon |
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