2-(2-acetyloxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;bis(2-(3,5-diiodo-2-methoxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide);2-(3,5-diiodo-2-propanoyloxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroethoxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide

C81H59F27I14N7O38S7-7 — CID 157150888

About 2-(2-acetyloxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;bis(2-(3,5-diiodo-2-methoxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide);2-(3,5-diiodo-2-propanoyloxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroethoxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide

2-(2-acetyloxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;bis(2-(3,5-diiodo-2-methoxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide);2-(3,5-diiodo-2-propanoyloxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroethoxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide (PubChem CID 157150888) has the molecular formula C81H59F27I14N7O38S7-7 and a molecular weight of 4252.44 g/mol. Its IUPAC name is 2-(2-acetyloxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;bis(2-(3,5-diiodo-2-methoxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide);2-(3,5-diiodo-2-propanoyloxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroethoxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide.

Molecular Properties

• Compound Name: 2-(2-acetyloxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;bis(2-(3,5-diiodo-2-methoxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide);2-(3,5-diiodo-2-propanoyloxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroethoxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide
• PubChem CID: 157150888
• Molecular Formula: C81H59F27I14N7O38S7-7
• Molecular Weight: 4252.44 g/mol
• Exact Mass: 4250.72
• IUPAC Name: 2-(2-acetyloxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;bis(2-(3,5-diiodo-2-methoxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide);2-(3,5-diiodo-2-propanoyloxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroethoxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide
• SMILES: CC(=O)Oc1c(I)cc(I)cc1C(=O)OCC[N-]S(=O)(=O)C(F)(F)F.CCC(=O)Oc1c(I)cc(I)cc1C(=O)OCC[N-]S(=O)(=O)C(F)(F)F.COc1c(I)cc(I)cc1C(=O)OCC[N-]S(=O)(=O)C(F)(F)F.COc1c(I)cc(I)cc1C(=O)OCC[N-]S(=O)(=O)C(F)(F)F.O=C(OCC[N-]S(=O)(=O)C(F)(F)F)c1cc(I)cc(I)c1O.O=C(OCC[N-]S(=O)(=O)C(F)(F)F)c1cc(I)cc(I)c1OC(=O)C(F)(F)F.O=C(OCC[N-]S(=O)(=O)C(F)(F)F)c1cc(I)cc(I)c1OCC(F)(F)F
• InChI: InChI=1S/C13H11F3I2NO6S.C12H6F6I2NO6S.C12H8F6I2NO5S.C12H9F3I2NO6S.2C11H9F3I2NO5S.C10H7F3I2NO5S/c1-2-10(20)25-11-8(5-7(17)6-9(11)18)12(21)24-4-3-19-26(22,23)13(14,15)16;13-11(14,15)10(23)27-8-6(3-5(19)4-7(8)20)9(22)26-2-1-21-28(24,25)12(16,17)18;13-11(14,15)5-26-9-7(3-6(19)4-8(9)20)10(22)25-2-1-21-27(23,24)12(16,17)18;1-6(19)24-10-8(4-7(16)5-9(10)17)11(20)23-3-2-18-25(21,22)12(13,14)15;2*1-21-9-7(4-6(15)5-8(9)16)10(18)22-3-2-17-23(19,20)11(12,13)14;11-10(12,13)22(19,20)16-1-2-21-9(18)6-3-5(14)4-7(15)8(6)17/h5-6H,2-4H2,1H3;3-4H,1-2H2;3-4H,1-2,5H2;4-5H,2-3H2,1H3;2*4-5H,2-3H2,1H3;3-4H,1-2H2,(H,17,18)/q7*-1
• InChIKey: ALFZCSYRHGZCOQ-UHFFFAOYSA-N
• XLogP: 24.30
• TPSA: 648.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 38
• Rotatable Bonds: 43
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4252.44
LogP ≤ 5	24.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyloxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;bis(2-(3,5-diiodo-2-methoxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide);2-(3,5-diiodo-2-propanoyloxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroethoxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide?

The IUPAC name of 2-(2-acetyloxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;bis(2-(3,5-diiodo-2-methoxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide);2-(3,5-diiodo-2-propanoyloxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroethoxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide (CID 157150888) is 2-(2-acetyloxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;bis(2-(3,5-diiodo-2-methoxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide);2-(3,5-diiodo-2-propanoyloxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroethoxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide.

What is the SMILES notation for 2-(2-acetyloxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;bis(2-(3,5-diiodo-2-methoxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide);2-(3,5-diiodo-2-propanoyloxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroethoxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide?

The canonical SMILES for 2-(2-acetyloxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;bis(2-(3,5-diiodo-2-methoxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide);2-(3,5-diiodo-2-propanoyloxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroethoxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide is CC(=O)Oc1c(I)cc(I)cc1C(=O)OCC[N-]S(=O)(=O)C(F)(F)F.CCC(=O)Oc1c(I)cc(I)cc1C(=O)OCC[N-]S(=O)(=O)C(F)(F)F.COc1c(I)cc(I)cc1C(=O)OCC[N-]S(=O)(=O)C(F)(F)F.COc1c(I)cc(I)cc1C(=O)OCC[N-]S(=O)(=O)C(F)(F)F.O=C(OCC[N-]S(=O)(=O)C(F)(F)F)c1cc(I)cc(I)c1O.O=C(OCC[N-]S(=O)(=O)C(F)(F)F)c1cc(I)cc(I)c1OC(=O)C(F)(F)F.O=C(OCC[N-]S(=O)(=O)C(F)(F)F)c1cc(I)cc(I)c1OCC(F)(F)F.

What is the InChIKey of 2-(2-acetyloxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;bis(2-(3,5-diiodo-2-methoxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide);2-(3,5-diiodo-2-propanoyloxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroethoxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide?

The InChIKey is ALFZCSYRHGZCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3I2NO6S.C12H6F6I2NO6S.C12H8F6I2NO5S.C12H9F3I2NO6S.2C11H9F3I2NO5S.C10H7F3I2NO5S/c1-2-10(20)25-11-8(5-7(17)6-9(11)18)12(21)24-4-3-19-26(22,23)13(14,15)16;13-11(14,15)10(23)27-8-6(3-5(19)4-7(8)20)9(22)26-2-1-21-28(24,25)12(16,17)18;13-11(14,15)5-26-9-7(3-6(19)4-8(9)20)10(22)25-2-1-21-27(23,24)12(16,17)18;1-6(19)24-10-8(4-7(16)5-9(10)17)11(20)23-3-2-18-25(21,22)12(13,14)15;2*1-21-9-7(4-6(15)5-8(9)16)10(18)22-3-2-17-23(19,20)11(12,13)14;11-10(12,13)22(19,20)16-1-2-21-9(18)6-3-5(14)4-7(15)8(6)17/h5-6H,2-4H2,1H3;3-4H,1-2H2;3-4H,1-2,5H2;4-5H,2-3H2,1H3;2*4-5H,2-3H2,1H3;3-4H,1-2H2,(H,17,18)/q7*-1.

What are the key properties of 2-(2-acetyloxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;bis(2-(3,5-diiodo-2-methoxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide);2-(3,5-diiodo-2-propanoyloxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroethoxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide?

2-(2-acetyloxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;bis(2-(3,5-diiodo-2-methoxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide);2-(3,5-diiodo-2-propanoyloxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroethoxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 4252.44 g/mol, XLogP of 24.30, 43 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-acetyloxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;bis(2-(3,5-diiodo-2-methoxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide);2-(3,5-diiodo-2-propanoyloxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2,2,2-trifluoroethoxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 157150888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).