(NE)-4-bromo-N-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide
Formula:C15H17N2O3BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-4-bromo-N-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide is a drug-like molecule.
| MolName | (NE)-4-bromo-N-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide |
| MolecularFormula | C15H17N2O3BrS2 |
| Smiles | O=C(CS1)N(C2CCCCC2)/C1=N\S(c(cc1)ccc1Br)(=O)=O |
| InChI | InChI=1S/C15H17BrN2O3S2/c16-11-6-8-13(9-7-11)23(20,21)17-15-18(14(19)10-22-15)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2 |
| InChIK | KQXCGTUYJXIDOR-UHFFFAOYSA-N |
| TotalMolweight | 417.347 |
| Molweight | 417.347 |
| MonoisotopicMass | 415.986394 |
| CLogP | 3.1124 |
| CLogS | -4.457 |
| H Acceptors | 5 |
| TotalSurfaceArea | 257.04 |
| Relative PSA | 0.28855 |
| PolarSurfaceArea | 100.49 |
| Druglikeness | -3.5737 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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