N-(3-chlorophenyl)-4-[(2Z)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
Formula:C20H15N4O5ClF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-chlorophenyl)-4-[(2Z)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide is a drug-like molecule.
| MolName | N-(3-chlorophenyl)-4-[(2Z)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide |
| MolecularFormula | C20H15N4O5ClF2S |
| Smiles | [O-][N+](c(cc(cc1)S(Nc2cccc(Cl)c2)(=O)=O)c1N/N=C\c(cccc1)c1OC(F)F)=O |
| InChI | InChI=1S/C20H15ClF2N4O5S/c21-14-5-3-6-15(10-14)26-33(30,31)16-8-9-17(18(11-16)27(28)29)25-24-12-13-4-1-2-7-19(13)32-20(22)23/h1-12,20,25-26H |
| InChIK | KMPFCXJSQSUJCM-UHFFFAOYSA-N |
| TotalMolweight | 496.877 |
| Molweight | 496.877 |
| MonoisotopicMass | 496.041974 |
| CLogP | 4.9938 |
| CLogS | -6.3 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 343.33 |
| Relative PSA | 0.30126 |
| PolarSurfaceArea | 133.99 |
| Druglikeness | -6.4308 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-(3-chlorophenyl)-4-[(2Z)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide | 2 - N-(3-chlorophenyl)-4-[(2Z)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
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