2-iodo-N-[4-(4-nitrophenyl)sulfonylphenyl]-2-phenylacetamide
Formula:C20H15N2O5IS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-iodo-N-[4-(4-nitrophenyl)sulfonylphenyl]-2-phenylacetamide is not a drug-like molecule.
| MolName | 2-iodo-N-[4-(4-nitrophenyl)sulfonylphenyl]-2-phenylacetamide |
| MolecularFormula | C20H15N2O5IS |
| Smiles | [O-][N+](c(cc1)ccc1S(c(cc1)ccc1NC(C(c1ccccc1)I)=O)(=O)=O)=O |
| InChI | InChI=1S/C20H15IN2O5S/c21-19(14-4-2-1-3-5-14)20(24)22-15-6-10-17(11-7-15)29(27,28)18-12-8-16(9-13-18)23(25)26/h1-13,19H,(H,22,24)/t19-/m1/s1 |
| InChIK | NVHPTBFVIZSGBR-LJQANCHMSA-N |
| TotalMolweight | 522.314 |
| Molweight | 522.314 |
| MonoisotopicMass | 521.974641 |
| CLogP | 3.6185 |
| CLogS | -5.204 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 313.02 |
| Relative PSA | 0.26676 |
| PolarSurfaceArea | 117.44 |
| Druglikeness | -3.6935 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | sec./tert. alkyl-bromide/iodide; aromatic nitro |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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