N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzenesulfonamide
Formula:C21H17N4O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzenesulfonamide is a drug-like molecule.
| MolName | N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzenesulfonamide |
| MolecularFormula | C21H17N4O4ClS |
| Smiles | [O-][N+](c(cc1)cc(S(Nc(cccc2)c2Cl)(=O)=O)c1N/N=C\C=C\c1ccccc1)=O |
| InChI | InChI=1S/C21H17ClN4O4S/c22-18-10-4-5-11-19(18)25-31(29,30)21-15-17(26(27)28)12-13-20(21)24-23-14-6-9-16-7-2-1-3-8-16/h1-15,24-25H |
| InChIK | QIKBPPOMGPDCFW-UHFFFAOYSA-N |
| TotalMolweight | 456.909 |
| Molweight | 456.909 |
| MonoisotopicMass | 456.065903 |
| CLogP | 4.8427 |
| CLogS | -5.97 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 334.63 |
| Relative PSA | 0.2792 |
| PolarSurfaceArea | 124.76 |
| Druglikeness | -3.7718 |
| 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 | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzenesulfonamide | 2 - N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzenesulfonamide
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