2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
Formula:C13H12N3O4ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide |
| MolecularFormula | C13H12N3O4ClS |
| Smiles | O=C(CNS(c(cc1)ccc1Cl)(=O)=O)N/N=C\c1ccco1 |
| InChI | InChI=1S/C13H12ClN3O4S/c14-10-3-5-12(6-4-10)22(19,20)16-9-13(18)17-15-8-11-2-1-7-21-11/h1-8,16H,9H2,(H,17,18) |
| InChIK | KNOKKVZKZKXTKS-UHFFFAOYSA-N |
| TotalMolweight | 341.774 |
| Molweight | 341.774 |
| MonoisotopicMass | 341.023704 |
| CLogP | 1.7666 |
| CLogS | -3.454 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 245.9 |
| Relative PSA | 0.36665 |
| PolarSurfaceArea | 109.15 |
| Druglikeness | 6.6574 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide | 2 - 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
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