Mol Weight - 369.784
Smiles - CC(Nc(cc1)ccc1NS(c(cc1)cc([N+]([O-])=O)c1Cl)(=O)=O)=O
| Property Name | Property Value |
| Mol Name | N-[4-[(4-chloro-3-nitro-phenyl) sulfonylamino] phenyl] acetamide |
| Molweight | 369.784 |
| Monoisotopic Mass | 369.018619 |
| Clogp | 1.3468 |
| Clogs | -4.487 |
| H Acceptors | 8 |
| H Donors | 2 |
| Total Surface Area | 253.62 |
| Relative Psa | 0.37442 |
| Polar Surface Area | 129.47 |
| Druglikeness | -6.6747 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.58333 |
| Molecular Flexibility | 0.5315 |
| Molecular Complexity | 0.76113 |
| Fragments | 1 |
| Non H Atoms | 24 |
| Non Ch Atoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bonds | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3 Atoms | 3 |
| Symmetric Atoms | 3 |
| Amides | 2 |
| Acidic Oxygens | 1 |
| Smiles | CC(Nc(cc1)ccc1NS(c(cc1)cc([N+]([O-])=O)c1Cl)(=O)=O)=O |
| InChIKey | InChI=1S/C14H12ClN3O5S/c1-9(19)16-10-2-4-11(5-3-10)17-24(22,23)12-6-7-13(15)14(8-12)18(20)21/h2-8,17H,1H3,(H,16,19) |
| InChI | FAGBGCWSFWSOHI-UHFFFAOYSA-N |
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1 — N-[4-[(4-chloro-3-nitro-phenyl) sulfonylamino] phenyl] acetamide | 2 — N-[4-[(4-chloro-3-nitro-phenyl) sulfonylamino] phenyl] acetamide