N-(4-chlorophenyl)-5-nitro-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzenesulfonamide
Formula:C18H14N5O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-chlorophenyl)-5-nitro-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzenesulfonamide is a drug-like molecule.
| MolName | N-(4-chlorophenyl)-5-nitro-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzenesulfonamide |
| MolecularFormula | C18H14N5O4ClS |
| Smiles | [O-][N+](c(cc1)cc(S(Nc(cc2)ccc2Cl)(=O)=O)c1N/N=C\c1ccncc1)=O |
| InChI | InChI=1S/C18H14ClN5O4S/c19-14-1-3-15(4-2-14)23-29(27,28)18-11-16(24(25)26)5-6-17(18)22-21-12-13-7-9-20-10-8-13/h1-12,22-23H |
| InChIK | WPTXYIPHGAMEMC-UHFFFAOYSA-N |
| TotalMolweight | 431.859 |
| Molweight | 431.859 |
| MonoisotopicMass | 431.045502 |
| CLogP | 3.8235 |
| CLogS | -4.883 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 306.89 |
| Relative PSA | 0.34019 |
| PolarSurfaceArea | 137.65 |
| Druglikeness | -2.2863 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-(4-chlorophenyl)-5-nitro-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzenesulfonamide | 2 - N-(4-chlorophenyl)-5-nitro-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzenesulfonamide
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