indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)

C4H2F12InN2O8S4+3 — CID 131725280

IUPACindium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.[In+3]
InChIInChI=1S/2C2HF6NO4S2.In/c2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h2*9H;/q;;+3
InChIKeyNWQGWLDQOBJYFJ-UHFFFAOYSA-N
MW677.13 g/mol
LogP0.17
Rot. Bonds4

About indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)

indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide) (PubChem CID 131725280) has the molecular formula C4H2F12InN2O8S4+3 and a molecular weight of 677.13 g/mol. Its IUPAC name is indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide).

Molecular Properties

Compound Nameindium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
PubChem CID131725280
Molecular FormulaC4H2F12InN2O8S4+3
Molecular Weight677.13 g/mol
Exact Mass676.75
IUPAC Nameindium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.[In+3]
InChIInChI=1S/2C2HF6NO4S2.In/c2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h2*9H;/q;;+3
InChIKeyNWQGWLDQOBJYFJ-UHFFFAOYSA-N
XLogP0.17
TPSA160.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500677.13
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)?
The IUPAC name of indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide) (CID 131725280) is indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide).
What is the SMILES notation for indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)?
The canonical SMILES for indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide) is O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.[In+3].
What is the InChIKey of indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)?
The InChIKey is NWQGWLDQOBJYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2HF6NO4S2.In/c2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h2*9H;/q;;+3.
What are the key properties of indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)?
indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide) has a molecular weight of 677.13 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide) is sourced from PubChem (CID 131725280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).