| MolName | 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzenesulfonamide |
| MolecularFormula | C14H11N3O4S2 |
| Smiles | NC(S/C1=C\c2ccc(-c(cc3)ccc3S(N)(=O)=O)o2)=NC1=O |
| InChI | InChI=1S/C14H11N3O4S2/c15-14-17-13(18)12(22-14)7-9-3-6-11(21-9)8-1-4-10(5-2-8)23(16,19)20/h1-7H,(H2,15,17,18)(H2,16,19,20) |
| InChIK | BKUMVXIXUVYKDQ-UHFFFAOYSA-N |
| TotalMolweight | 349.39 |
| Molweight | 349.39 |
| MonoisotopicMass | 349.019097 |
| CLogP | 0.7009 |
| CLogS | -4.648 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 237.75 |
| Relative PSA | 0.48484 |
| PolarSurfaceArea | 162.43 |
| Druglikeness | 4.9722 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzenesulfonamide | 2 - 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzenesulfonamide