2-[benzenesulfonyl(cyclohexyl)amino]-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide
Formula:C21H23N4O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[benzenesulfonyl(cyclohexyl)amino]-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[benzenesulfonyl(cyclohexyl)amino]-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C21H23N4O5ClS |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(CN(C2CCCCC2)S(c2ccccc2)(=O)=O)=O)c1Cl)=O |
| InChI | InChI=1S/C21H23ClN4O5S/c22-20-12-11-18(26(28)29)13-16(20)14-23-24-21(27)15-25(17-7-3-1-4-8-17)32(30,31)19-9-5-2-6-10-19/h2,5-6,9-14,17H,1,3-4,7-8,15H2,(H,24,27) |
| InChIK | HDLKKFPCVALRRJ-UHFFFAOYSA-N |
| TotalMolweight | 478.956 |
| Molweight | 478.956 |
| MonoisotopicMass | 478.107768 |
| CLogP | 3.3052 |
| CLogS | -5.392 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 346.52 |
| Relative PSA | 0.28443 |
| PolarSurfaceArea | 133.04 |
| Druglikeness | -15.781 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[benzenesulfonyl(cyclohexyl)amino]-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide | 2 - 2-[benzenesulfonyl(cyclohexyl)amino]-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide
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