4-[[(Z)-3-(5-chlorothiophen-2-yl)-3-oxoprop-1-enyl]amino]-N-quinoxalin-2-ylbenzenesulfonamide
Formula:C21H15N4O3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
4-[[(Z)-3-(5-chlorothiophen-2-yl)-3-oxoprop-1-enyl]amino]-N-quinoxalin-2-ylbenzenesulfonamide is a drug-like molecule.
| MolName | 4-[[(Z)-3-(5-chlorothiophen-2-yl)-3-oxoprop-1-enyl]amino]-N-quinoxalin-2-ylbenzenesulfonamide |
| MolecularFormula | C21H15N4O3ClS2 |
| Smiles | O=C(/C=C\Nc(cc1)ccc1S(Nc1nc2ccccc2nc1)(=O)=O)c(s1)ccc1Cl |
| InChI | InChI=1S/C21H15ClN4O3S2/c22-20-10-9-19(30-20)18(27)11-12-23-14-5-7-15(8-6-14)31(28,29)26-21-13-24-16-3-1-2-4-17(16)25-21/h1-13,23H,(H,25,26) |
| InChIK | GRSUCEKPXIOQTG-UHFFFAOYSA-N |
| TotalMolweight | 470.96 |
| Molweight | 470.96 |
| MonoisotopicMass | 470.027408 |
| CLogP | 3.2399 |
| CLogS | -6.213 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 332.01 |
| Relative PSA | 0.3218 |
| PolarSurfaceArea | 137.67 |
| Druglikeness | 4.8827 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 4-[[(Z)-3-(5-chlorothiophen-2-yl)-3-oxoprop-1-enyl]amino]-N-quinoxalin-2-ylbenzenesulfonamide | 2 - 4-[[(Z)-3-(5-chlorothiophen-2-yl)-3-oxoprop-1-enyl]amino]-N-quinoxalin-2-ylbenzenesulfonamide
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