N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide
Formula:C16H12N2O3BrClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide |
| MolecularFormula | C16H12N2O3BrClS |
| Smiles | C#CCOc(cc1)c(/C=N\NS(c(cc2)ccc2Cl)(=O)=O)cc1Br |
| InChI | InChI=1S/C16H12BrClN2O3S/c1-2-9-23-16-8-3-13(17)10-12(16)11-19-20-24(21,22)15-6-4-14(18)5-7-15/h1,3-8,10-11,20H,9H2 |
| InChIK | PZTHVAGEUSMNJF-UHFFFAOYSA-N |
| TotalMolweight | 427.705 |
| Molweight | 427.705 |
| MonoisotopicMass | 425.944051 |
| CLogP | 3.5655 |
| CLogS | -4.128 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 279.44 |
| Relative PSA | 0.22026 |
| PolarSurfaceArea | 76.14 |
| Druglikeness | 1.9184 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide | 2 - N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide
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