| MolName | (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide |
| MolecularFormula | C25H23N2O3ClS |
| Smiles | O=C(/C=C/c(cc1)ccc1S(Nc(cccc1)c1Cl)(=O)=O)NC(CCC1)c2c1cccc2 |
| InChI | InChI=1S/C25H23ClN2O3S/c26-22-9-3-4-10-24(22)28-32(30,31)20-15-12-18(13-16-20)14-17-25(29)27-23-11-5-7-19-6-1-2-8-21(19)23/h1-4,6,8-10,12-17,23,28H,5,7,11H2,(H,27,29)/t23-/m0/s1 |
| InChIK | UOFHOQADJJMJLQ-QHCPKHFHSA-N |
| TotalMolweight | 466.988 |
| Molweight | 466.988 |
| MonoisotopicMass | 466.11179 |
| CLogP | 4.7789 |
| CLogS | -6.043 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 344.23 |
| Relative PSA | 0.18749 |
| PolarSurfaceArea | 83.65 |
| Druglikeness | 0.61573 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 2 |
| StereoCon | racemate |
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1 - (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide | 2 - (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide