4-[(2Z)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
Formula:C22H18N6O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide is a drug-like molecule.
| MolName | 4-[(2Z)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide |
| MolecularFormula | C22H18N6O4S |
| Smiles | NS(c(cc1)cc([N+]([O-])=O)c1N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1)(=O)=O |
| InChI | InChI=1S/C22H18N6O4S/c23-33(31,32)19-11-12-20(21(13-19)28(29)30)25-24-14-17-15-27(18-9-5-2-6-10-18)26-22(17)16-7-3-1-4-8-16/h1-15,25H,(H2,23,31,32) |
| InChIK | PWDPAXJOJLOALK-UHFFFAOYSA-N |
| TotalMolweight | 462.489 |
| Molweight | 462.489 |
| MonoisotopicMass | 462.111024 |
| CLogP | 3.6023 |
| CLogS | -5.021 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 337.49 |
| Relative PSA | 0.34099 |
| PolarSurfaceArea | 156.57 |
| Druglikeness | -1.7711 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(2Z)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide | 2 - 4-[(2Z)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
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