2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]acetamide
Formula:C18H14N4O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]acetamide |
| MolecularFormula | C18H14N4O3Cl2S |
| Smiles | O=C(CNS(c(cc1)ccc1Cl)(=O)=O)N/N=C\c1cc2ccccc2nc1Cl |
| InChI | InChI=1S/C18H14Cl2N4O3S/c19-14-5-7-15(8-6-14)28(26,27)22-11-17(25)24-21-10-13-9-12-3-1-2-4-16(12)23-18(13)20/h1-10,22H,11H2,(H,24,25) |
| InChIK | UWSCPLYGZHVVSZ-UHFFFAOYSA-N |
| TotalMolweight | 437.306 |
| Molweight | 437.306 |
| MonoisotopicMass | 436.016365 |
| CLogP | 3.5973 |
| CLogS | -4.977 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 304.99 |
| Relative PSA | 0.28532 |
| PolarSurfaceArea | 108.9 |
| Druglikeness | 6.5955 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]acetamide | 2 - 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]acetamide
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