N-[N-(4-bromophenyl)sulfonyl-S-(trichloromethyl)sulfinimidoyl]benzamide
Formula:C14H10N2O3BrCl3S2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
N-[N-(4-bromophenyl)sulfonyl-S-(trichloromethyl)sulfinimidoyl]benzamide is not a drug-like molecule.
| MolName | N-[N-(4-bromophenyl)sulfonyl-S-(trichloromethyl)sulfinimidoyl]benzamide |
| MolecularFormula | C14H10N2O3BrCl3S2 |
| Smiles | O=C(c1ccccc1)N/S(/C(Cl)(Cl)Cl)=N/S(c(cc1)ccc1Br)(=O)=O |
| InChI | InChI=1S/C14H12BrCl3N2O3S2/c15-11-6-8-12(9-7-11)25(22,23)20-24(14(16,17)18)19-13(21)10-4-2-1-3-5-10/h1-9H,24H2,(H,19,20,21) |
| InChIK | YVHHTYMCPBWWCY-UHFFFAOYSA-N |
| TotalMolweight | 504.639 |
| Molweight | 504.639 |
| MonoisotopicMass | 501.838175 |
| CLogP | 4.8604 |
| CLogS | -5.595 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 294.05 |
| Relative PSA | 0.25258 |
| PolarSurfaceArea | 103.19 |
| Druglikeness | -0.33912 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| StereoCon | racemate |
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