4-chloro-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]benzenesulfonamide
Formula:C16H13N2O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]benzenesulfonamide |
| MolecularFormula | C16H13N2O3ClS |
| Smiles | C#CCOc1c(/C=N\NS(c(cc2)ccc2Cl)(=O)=O)cccc1 |
| InChI | InChI=1S/C16H13ClN2O3S/c1-2-11-22-16-6-4-3-5-13(16)12-18-19-23(20,21)15-9-7-14(17)8-10-15/h1,3-10,12,19H,11H2 |
| InChIK | POCLTGIZUWMBKC-UHFFFAOYSA-N |
| TotalMolweight | 348.809 |
| Molweight | 348.809 |
| MonoisotopicMass | 348.03354 |
| CLogP | 2.8403 |
| CLogS | -3.294 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 260.81 |
| Relative PSA | 0.236 |
| PolarSurfaceArea | 76.14 |
| Druglikeness | 4.1617 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
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