2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
Formula:C22H19N4O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C22H19N4O5ClS |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CN(Cc(cc2)ccc2Cl)S(c2ccccc2)(=O)=O)=O)cc1)=O |
| InChI | InChI=1S/C22H19ClN4O5S/c23-19-10-6-18(7-11-19)15-26(33(31,32)21-4-2-1-3-5-21)16-22(28)25-24-14-17-8-12-20(13-9-17)27(29)30/h1-14H,15-16H2,(H,25,28) |
| InChIK | SLHJVBZESCSASU-UHFFFAOYSA-N |
| TotalMolweight | 486.935 |
| Molweight | 486.935 |
| MonoisotopicMass | 486.076468 |
| CLogP | 3.1676 |
| CLogS | -5.141 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 352.24 |
| Relative PSA | 0.27981 |
| PolarSurfaceArea | 133.04 |
| Druglikeness | -9.7396 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 7 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide | 2 - 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
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