N'-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-chlorobenzenecarboximidamide
Formula:C15H9N2O2ClF6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-chlorobenzenecarboximidamide is a drug-like molecule.
| MolName | N'-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-chlorobenzenecarboximidamide |
| MolecularFormula | C15H9N2O2ClF6S |
| Smiles | N/C(/c(cc1)ccc1Cl)=N\S(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(=O)=O |
| InChI | InChI=1S/C15H9ClF6N2O2S/c16-11-3-1-8(2-4-11)13(23)24-27(25,26)12-6-9(14(17,18)19)5-10(7-12)15(20,21)22/h1-7H,(H2,23,24) |
| InChIK | OOBSMPJMRSRYTN-UHFFFAOYSA-N |
| TotalMolweight | 430.755 |
| Molweight | 430.755 |
| MonoisotopicMass | 429.997743 |
| CLogP | 4.2521 |
| CLogS | -5.089 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 267.43 |
| Relative PSA | 0.20701 |
| PolarSurfaceArea | 80.9 |
| Druglikeness | -21.104 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 11 |
| BasicNitrogens | 1 |
| StereoCon |
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