2-(benzenesulfonamido)-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide
Formula:C15H13N4O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(benzenesulfonamido)-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(benzenesulfonamido)-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H13N4O5ClS |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(CNS(c2ccccc2)(=O)=O)=O)c1Cl)=O |
| InChI | InChI=1S/C15H13ClN4O5S/c16-14-7-6-12(20(22)23)8-11(14)9-17-19-15(21)10-18-26(24,25)13-4-2-1-3-5-13/h1-9,18H,10H2,(H,19,21) |
| InChIK | HZMODKWLFNPXPJ-UHFFFAOYSA-N |
| TotalMolweight | 396.81 |
| Molweight | 396.81 |
| MonoisotopicMass | 396.029518 |
| CLogP | 1.6563 |
| CLogS | -4.232 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 279.88 |
| Relative PSA | 0.38041 |
| PolarSurfaceArea | 141.83 |
| Druglikeness | -8.0014 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(benzenesulfonamido)-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide | 2 - 2-(benzenesulfonamido)-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide
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