N-(4-methoxyphenyl)-2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
Formula:C21H20N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-methoxyphenyl)-2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide is a drug-like molecule.
| MolName | N-(4-methoxyphenyl)-2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide |
| MolecularFormula | C21H20N4O5S |
| Smiles | Cc1c(/C=N\Nc(ccc([N+]([O-])=O)c2)c2S(Nc(cc2)ccc2OC)(=O)=O)cccc1 |
| InChI | InChI=1S/C21H20N4O5S/c1-15-5-3-4-6-16(15)14-22-23-20-12-9-18(25(26)27)13-21(20)31(28,29)24-17-7-10-19(30-2)11-8-17/h3-14,23-24H,1-2H3 |
| InChIK | NSPQQPGZHBEQKM-UHFFFAOYSA-N |
| TotalMolweight | 440.479 |
| Molweight | 440.479 |
| MonoisotopicMass | 440.115441 |
| CLogP | 4.4923 |
| CLogS | -5.304 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 327.23 |
| Relative PSA | 0.31608 |
| PolarSurfaceArea | 133.99 |
| Druglikeness | -4.1928 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-(4-methoxyphenyl)-2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide | 2 - N-(4-methoxyphenyl)-2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
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