2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
Formula:C22H18N3O3ClF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C22H18N3O3ClF2S |
| Smiles | O=C(CN(Cc(cccc1)c1F)S(c(cc1)ccc1Cl)(=O)=O)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C22H18ClF2N3O3S/c23-18-7-11-20(12-8-18)32(30,31)28(14-17-3-1-2-4-21(17)25)15-22(29)27-26-13-16-5-9-19(24)10-6-16/h1-13H,14-15H2,(H,27,29) |
| InChIK | NWHPXHAUCWGHCR-UHFFFAOYSA-N |
| TotalMolweight | 477.918 |
| Molweight | 477.918 |
| MonoisotopicMass | 477.072545 |
| CLogP | 4.2908 |
| CLogS | -5.309 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 341.27 |
| Relative PSA | 0.19967 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | 6.2801 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide | 2 - 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
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