4-[[(Z)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]-N-pyrimidin-2-ylbenzenesulfonamide
Formula:C17H14N4O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[[(Z)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]-N-pyrimidin-2-ylbenzenesulfonamide is a drug-like molecule.
| MolName | 4-[[(Z)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]-N-pyrimidin-2-ylbenzenesulfonamide |
| MolecularFormula | C17H14N4O3S2 |
| Smiles | O=C(/C=C\Nc(cc1)ccc1S(Nc1ncccn1)(=O)=O)c1cccs1 |
| InChI | InChI=1S/C17H14N4O3S2/c22-15(16-3-1-12-25-16)8-11-18-13-4-6-14(7-5-13)26(23,24)21-17-19-9-2-10-20-17/h1-12,18H,(H,19,20,21) |
| InChIK | ZYAICVQAWKVVEZ-UHFFFAOYSA-N |
| TotalMolweight | 386.455 |
| Molweight | 386.455 |
| MonoisotopicMass | 386.050731 |
| CLogP | 1.4465 |
| CLogS | -4.396 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 281.99 |
| Relative PSA | 0.37888 |
| PolarSurfaceArea | 137.67 |
| Druglikeness | 5.7596 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 4-[[(Z)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]-N-pyrimidin-2-ylbenzenesulfonamide | 2 - 4-[[(Z)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]-N-pyrimidin-2-ylbenzenesulfonamide
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