2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C16H13N3O3ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C16H13N3O3ClF3S |
| Smiles | O=C(CNS(c(cc1)ccc1Cl)(=O)=O)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C16H13ClF3N3O3S/c17-12-5-7-13(8-6-12)27(25,26)22-10-15(24)23-21-9-11-3-1-2-4-14(11)16(18,19)20/h1-9,22H,10H2,(H,23,24) |
| InChIK | HCMOQVDULAXSQW-UHFFFAOYSA-N |
| TotalMolweight | 419.81 |
| Molweight | 419.81 |
| MonoisotopicMass | 419.031823 |
| CLogP | 3.4262 |
| CLogS | -4.55 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 285.67 |
| Relative PSA | 0.26622 |
| PolarSurfaceArea | 96.01 |
| Druglikeness | -3.0401 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
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