2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide
Formula:C20H17N4O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide |
| MolecularFormula | C20H17N4O3BrS |
| Smiles | O=C(CN(c1ncccc1)S(c1ccccc1)(=O)=O)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C20H17BrN4O3S/c21-17-11-9-16(10-12-17)14-23-24-20(26)15-25(19-8-4-5-13-22-19)29(27,28)18-6-2-1-3-7-18/h1-14H,15H2,(H,24,26) |
| InChIK | SVETTWKMSWYLRZ-UHFFFAOYSA-N |
| TotalMolweight | 473.35 |
| Molweight | 473.35 |
| MonoisotopicMass | 472.020472 |
| CLogP | 3.1265 |
| CLogS | -5.49 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 316.78 |
| Relative PSA | 0.24973 |
| PolarSurfaceArea | 100.11 |
| Druglikeness | -2.0364 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide | 2 - 2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide
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