trifluoromethylsulfonyl-[2-[(2,3,5-triiodobenzoyl)amino]ethyl]azanide

C10H7F3I3N2O3S- — CID 162771697

IUPACtrifluoromethylsulfonyl-[2-[(2,3,5-triiodobenzoyl)amino]ethyl]azanide
SMILESO=C(NCC[N-]S(=O)(=O)C(F)(F)F)c1cc(I)cc(I)c1I
InChIInChI=1S/C10H7F3I3N2O3S/c11-10(12,13)22(20,21)18-2-1-17-9(19)6-3-5(14)4-7(15)8(6)16/h3-4H,1-2H2,(H,17,19)/q-1
InChIKeyGLIJLEKZOJAUOK-UHFFFAOYSA-N
MW672.95 g/mol
LogP3.45
Rot. Bonds5

About trifluoromethylsulfonyl-[2-[(2,3,5-triiodobenzoyl)amino]ethyl]azanide

trifluoromethylsulfonyl-[2-[(2,3,5-triiodobenzoyl)amino]ethyl]azanide (PubChem CID 162771697) has the molecular formula C10H7F3I3N2O3S- and a molecular weight of 672.95 g/mol. Its IUPAC name is trifluoromethylsulfonyl-[2-[(2,3,5-triiodobenzoyl)amino]ethyl]azanide.

Molecular Properties

Compound Nametrifluoromethylsulfonyl-[2-[(2,3,5-triiodobenzoyl)amino]ethyl]azanide
PubChem CID162771697
Molecular FormulaC10H7F3I3N2O3S-
Molecular Weight672.95 g/mol
Exact Mass672.73
IUPAC Nametrifluoromethylsulfonyl-[2-[(2,3,5-triiodobenzoyl)amino]ethyl]azanide
SMILESO=C(NCC[N-]S(=O)(=O)C(F)(F)F)c1cc(I)cc(I)c1I
InChIInChI=1S/C10H7F3I3N2O3S/c11-10(12,13)22(20,21)18-2-1-17-9(19)6-3-5(14)4-7(15)8(6)16/h3-4H,1-2H2,(H,17,19)/q-1
InChIKeyGLIJLEKZOJAUOK-UHFFFAOYSA-N
XLogP3.45
TPSA77.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500672.95
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,3,5-triiodo-N-propylbenzamide
CID 54149296
1,1-difluoro-2-oxo-7-[(2,3,5-triiodobenzoyl)amino]heptane-1-sulfonate
CID 164728151
1,1-difluoro-2-[3-[(2,3,5-triiodobenzoyl)amino]propanoyloxy]ethanesulfonate
CID 156684092
2,3,5-triiodobenzohydrazide
CID 15515243
2,3,5-triiodo-N-prop-2-enylbenzamide
CID 4551510
trifluoromethylsulfonyl-[[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]methyl]azanide
CID 162466934
(1E)-N-methylsulfonyl-2-[(2,3,5-triiodobenzoyl)amino]ethanimidate
CID 153287290
3-methyl-2-[[(2,3,5-triiodobenzoyl)amino]methyl]butanoic acid
CID 65220471
N-tert-butyl-2,3,5-triiodobenzamide
CID 60629696
1-fluoroethyl 7-[(2,3,5-triiodobenzoyl)amino]heptanoate
CID 159107261
trifluoromethylsulfonyl-[4-(2,3,5-triiodobenzoyl)oxyphenyl]azanide
CID 162466853
2,3,5-triiodo-N-(2-iodophenyl)sulfonylbenzamide
CID 152996078

Frequently Asked Questions

What is the IUPAC name of trifluoromethylsulfonyl-[2-[(2,3,5-triiodobenzoyl)amino]ethyl]azanide?
The IUPAC name of trifluoromethylsulfonyl-[2-[(2,3,5-triiodobenzoyl)amino]ethyl]azanide (CID 162771697) is trifluoromethylsulfonyl-[2-[(2,3,5-triiodobenzoyl)amino]ethyl]azanide.
What is the SMILES notation for trifluoromethylsulfonyl-[2-[(2,3,5-triiodobenzoyl)amino]ethyl]azanide?
The canonical SMILES for trifluoromethylsulfonyl-[2-[(2,3,5-triiodobenzoyl)amino]ethyl]azanide is O=C(NCC[N-]S(=O)(=O)C(F)(F)F)c1cc(I)cc(I)c1I.
What is the InChIKey of trifluoromethylsulfonyl-[2-[(2,3,5-triiodobenzoyl)amino]ethyl]azanide?
The InChIKey is GLIJLEKZOJAUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3I3N2O3S/c11-10(12,13)22(20,21)18-2-1-17-9(19)6-3-5(14)4-7(15)8(6)16/h3-4H,1-2H2,(H,17,19)/q-1.
What are the key properties of trifluoromethylsulfonyl-[2-[(2,3,5-triiodobenzoyl)amino]ethyl]azanide?
trifluoromethylsulfonyl-[2-[(2,3,5-triiodobenzoyl)amino]ethyl]azanide has a molecular weight of 672.95 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethylsulfonyl-[2-[(2,3,5-triiodobenzoyl)amino]ethyl]azanide is sourced from PubChem (CID 162771697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).