(E)-2-(3-bromophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)ethenesulfonamide
Formula:C17H13N2O2BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(3-bromophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)ethenesulfonamide is a drug-like molecule.
| MolName | (E)-2-(3-bromophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)ethenesulfonamide |
| MolecularFormula | C17H13N2O2BrS2 |
| Smiles | O=S(/C=C/c1cccc(Br)c1)(Nc1nc(-c2ccccc2)cs1)=O |
| InChI | InChI=1S/C17H13BrN2O2S2/c18-15-8-4-5-13(11-15)9-10-24(21,22)20-17-19-16(12-23-17)14-6-2-1-3-7-14/h1-12H,(H,19,20) |
| InChIK | FZUANAXVKBLOLL-UHFFFAOYSA-N |
| TotalMolweight | 421.338 |
| Molweight | 421.338 |
| MonoisotopicMass | 419.960179 |
| CLogP | 4.5853 |
| CLogS | -6.724 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 272.65 |
| Relative PSA | 0.26176 |
| PolarSurfaceArea | 95.68 |
| Druglikeness | -0.36547 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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