4-[(2E)-2-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)hydrazinyl]benzenesulfonamide
Formula:C16H15N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2E)-2-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)hydrazinyl]benzenesulfonamide is a drug-like molecule.
| MolName | 4-[(2E)-2-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)hydrazinyl]benzenesulfonamide |
| MolecularFormula | C16H15N5O3S |
| Smiles | C=C(/C(/C1=O)=N\Nc(cc2)ccc2S(N)(=O)=O)NN1c1ccccc1 |
| InChI | InChI=1S/C16H15N5O3S/c1-11-15(16(22)21(20-11)13-5-3-2-4-6-13)19-18-12-7-9-14(10-8-12)25(17,23)24/h2-10,18,20H,1H2,(H2,17,23,24) |
| InChIK | KGXIRFXBLCNOHJ-UHFFFAOYSA-N |
| TotalMolweight | 357.393 |
| Molweight | 357.393 |
| MonoisotopicMass | 357.08956 |
| CLogP | 1.9461 |
| CLogS | -2.921 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 253.31 |
| Relative PSA | 0.37452 |
| PolarSurfaceArea | 125.27 |
| Druglikeness | 3.6495 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 4-[(2E)-2-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)hydrazinyl]benzenesulfonamide | 2 - 4-[(2E)-2-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)hydrazinyl]benzenesulfonamide
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