N-(2-chlorophenyl)-2-[(2E)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
Formula:C28H21N6O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-chlorophenyl)-2-[(2E)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide is not a drug-like molecule.
| MolName | N-(2-chlorophenyl)-2-[(2E)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide |
| MolecularFormula | C28H21N6O4ClS |
| Smiles | [O-][N+](c(cc1)cc(S(Nc(cccc2)c2Cl)(=O)=O)c1N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)=O |
| InChI | InChI=1S/C28H21ClN6O4S/c29-24-13-7-8-14-25(24)33-40(38,39)27-17-23(35(36)37)15-16-26(27)31-30-18-21-19-34(22-11-5-2-6-12-22)32-28(21)20-9-3-1-4-10-20/h1-19,31,33H |
| InChIK | DOTGXSBHMZSOLF-UHFFFAOYSA-N |
| TotalMolweight | 573.032 |
| Molweight | 573.032 |
| MonoisotopicMass | 572.103351 |
| CLogP | 5.7434 |
| CLogS | -7.191 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 415.61 |
| Relative PSA | 0.26773 |
| PolarSurfaceArea | 142.58 |
| Druglikeness | -0.19616 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.45 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-(2-chlorophenyl)-2-[(2E)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide | 2 - N-(2-chlorophenyl)-2-[(2E)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
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