2-[3,5-diiodo-2-(2-iodoacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2-iodopropanoyloxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(3-iodopropanoyloxy)benzoyl]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

C75H53F24I15N6O35S6-6 — CID 163894972

About 2-[3,5-diiodo-2-(2-iodoacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2-iodopropanoyloxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(3-iodopropanoyloxy)benzoyl]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-[3,5-diiodo-2-(2-iodoacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2-iodopropanoyloxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(3-iodopropanoyloxy)benzoyl]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 (PubChem CID 163894972) has the molecular formula C75H53F24I15N6O35S6-6 and a molecular weight of 4150.17 g/mol. Its IUPAC name is 2-[3,5-diiodo-2-(2-iodoacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2-iodopropanoyloxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(3-iodopropanoyloxy)benzoyl]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.

Molecular Properties

• Compound Name: 2-[3,5-diiodo-2-(2-iodoacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2-iodopropanoyloxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(3-iodopropanoyloxy)benzoyl]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
• PubChem CID: 163894972
• Molecular Formula: C75H53F24I15N6O35S6-6
• Molecular Weight: 4150.17 g/mol
• Exact Mass: 4148.62
• IUPAC Name: 2-[3,5-diiodo-2-(2-iodoacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2-iodopropanoyloxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(3-iodopropanoyloxy)benzoyl]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
• SMILES: CC(I)C(=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.O=C(CCI)Oc1c(I)cc(I)cc1C(=O)OCC[N-]S(=O)(=O)C(F)(F)F.O=C(CI)Oc1c(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)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/2C13H10F3I3NO6S.C13H11F3I2NO6S.C12H6F6I2NO6S.C12H8F6I2NO5S.C12H8F3I3NO6S/c1-6(17)11(21)26-10-8(4-7(18)5-9(10)19)12(22)25-3-2-20-27(23,24)13(14,15)16;14-13(15,16)27(23,24)20-3-4-25-12(22)8-5-7(18)6-9(19)11(8)26-10(21)1-2-17;1-2-10(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;13-12(14,15)26(22,23)19-1-2-24-11(21)7-3-6(17)4-8(18)10(7)25-9(20)5-16/h4-6H,2-3H2,1H3;5-6H,1-4H2;5-6H,2-4H2,1H3;3-4H,1-2H2;3-4H,1-2,5H2;3-4H,1-2,5H2/q6*-1
• InChIKey: QEVDPYGOUTZCIV-UHFFFAOYSA-N
• XLogP: 23.18
• TPSA: 587.97 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 42
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4150.17
LogP ≤ 5	23.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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-[3,5-diiodo-2-(2-iodoacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2-iodopropanoyloxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(3-iodopropanoyloxy)benzoyl]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?

The IUPAC name of 2-[3,5-diiodo-2-(2-iodoacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2-iodopropanoyloxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(3-iodopropanoyloxy)benzoyl]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 (CID 163894972) is 2-[3,5-diiodo-2-(2-iodoacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2-iodopropanoyloxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(3-iodopropanoyloxy)benzoyl]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.

What is the SMILES notation for 2-[3,5-diiodo-2-(2-iodoacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2-iodopropanoyloxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(3-iodopropanoyloxy)benzoyl]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?

The canonical SMILES for 2-[3,5-diiodo-2-(2-iodoacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2-iodopropanoyloxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(3-iodopropanoyloxy)benzoyl]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 is CC(I)C(=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.O=C(CCI)Oc1c(I)cc(I)cc1C(=O)OCC[N-]S(=O)(=O)C(F)(F)F.O=C(CI)Oc1c(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)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-[3,5-diiodo-2-(2-iodoacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2-iodopropanoyloxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(3-iodopropanoyloxy)benzoyl]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?

The InChIKey is QEVDPYGOUTZCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H10F3I3NO6S.C13H11F3I2NO6S.C12H6F6I2NO6S.C12H8F6I2NO5S.C12H8F3I3NO6S/c1-6(17)11(21)26-10-8(4-7(18)5-9(10)19)12(22)25-3-2-20-27(23,24)13(14,15)16;14-13(15,16)27(23,24)20-3-4-25-12(22)8-5-7(18)6-9(19)11(8)26-10(21)1-2-17;1-2-10(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;13-12(14,15)26(22,23)19-1-2-24-11(21)7-3-6(17)4-8(18)10(7)25-9(20)5-16/h4-6H,2-3H2,1H3;5-6H,1-4H2;5-6H,2-4H2,1H3;3-4H,1-2H2;3-4H,1-2,5H2;3-4H,1-2,5H2/q6*-1.

What are the key properties of 2-[3,5-diiodo-2-(2-iodoacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2-iodopropanoyloxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(3-iodopropanoyloxy)benzoyl]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-[3,5-diiodo-2-(2-iodoacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2-iodopropanoyloxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(3-iodopropanoyloxy)benzoyl]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 has a molecular weight of 4150.17 g/mol, XLogP of 23.18, 42 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-diiodo-2-(2-iodoacetyl)oxybenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(2-iodopropanoyloxy)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3,5-diiodo-2-(3-iodopropanoyloxy)benzoyl]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 is sourced from PubChem (CID 163894972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).