2-chloro-N-(4-chlorophenyl)-5-nitro-N-[(E)-2-phenylethenyl]sulfonylbenzenesulfonamide
Formula:C20H14N2O6Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-(4-chlorophenyl)-5-nitro-N-[(E)-2-phenylethenyl]sulfonylbenzenesulfonamide is not a drug-like molecule.
| MolName | 2-chloro-N-(4-chlorophenyl)-5-nitro-N-[(E)-2-phenylethenyl]sulfonylbenzenesulfonamide |
| MolecularFormula | C20H14N2O6Cl2S2 |
| Smiles | [O-][N+](c(cc1)cc(S(N(c(cc2)ccc2Cl)S(/C=C/c2ccccc2)(=O)=O)(=O)=O)c1Cl)=O |
| InChI | InChI=1S/C20H14Cl2N2O6S2/c21-16-6-8-17(9-7-16)24(31(27,28)13-12-15-4-2-1-3-5-15)32(29,30)20-14-18(23(25)26)10-11-19(20)22/h1-14H |
| InChIK | WUAFPXLKIIBMRT-UHFFFAOYSA-N |
| TotalMolweight | 513.377 |
| Molweight | 513.377 |
| MonoisotopicMass | 511.967032 |
| CLogP | 4.0412 |
| CLogS | -8.381 |
| H Acceptors | 8 |
| TotalSurfaceArea | 341.25 |
| Relative PSA | 0.26705 |
| PolarSurfaceArea | 134.1 |
| Druglikeness | -8.8315 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-chloro-N-(4-chlorophenyl)-5-nitro-N-[(E)-2-phenylethenyl]sulfonylbenzenesulfonamide | 2 - 2-chloro-N-(4-chlorophenyl)-5-nitro-N-[(E)-2-phenylethenyl]sulfonylbenzenesulfonamide
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