disodium;[2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-5-[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)-3-(trifluoromethylsulfonylazanidylsulfonyl)phenyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide

C18H6Br2F14N2Na2O10S4 — CID 18739162

IUPACdisodium;[2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-5-[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)-3-(trifluoromethylsulfonylazanidylsulfonyl)phenyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)F)c1cc(-c2ccc(OC(F)(F)C(F)(F)Br)c(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)c2)ccc1OC(F)(F)C(F)(F)Br.[Na+].[Na+]
InChIInChI=1S/C18H6Br2F14N2O10S4.2Na/c19-13(21,22)15(25,26)45-9-3-1-7(5-11(9)47(37,38)35-49(41,42)17(29,30)31)8-2-4-10(46-16(27,28)14(20,23)24)12(6-8)48(39,40)36-50(43,44)18(32,33)34;;/h1-6H;;/q-2;2*+1
InChIKeyZUWPDPYLJQBIIJ-UHFFFAOYSA-N
MW1010.28 g/mol
LogP1.10
Rot. Bonds13

About disodium;[2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-5-[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)-3-(trifluoromethylsulfonylazanidylsulfonyl)phenyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide

disodium;[2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-5-[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)-3-(trifluoromethylsulfonylazanidylsulfonyl)phenyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide (PubChem CID 18739162) has the molecular formula C18H6Br2F14N2Na2O10S4 and a molecular weight of 1010.28 g/mol. Its IUPAC name is disodium;[2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-5-[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)-3-(trifluoromethylsulfonylazanidylsulfonyl)phenyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Namedisodium;[2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-5-[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)-3-(trifluoromethylsulfonylazanidylsulfonyl)phenyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide
PubChem CID18739162
Molecular FormulaC18H6Br2F14N2Na2O10S4
Molecular Weight1010.28 g/mol
Exact Mass1007.68
IUPAC Namedisodium;[2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-5-[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)-3-(trifluoromethylsulfonylazanidylsulfonyl)phenyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)F)c1cc(-c2ccc(OC(F)(F)C(F)(F)Br)c(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)c2)ccc1OC(F)(F)C(F)(F)Br.[Na+].[Na+]
InChIInChI=1S/C18H6Br2F14N2O10S4.2Na/c19-13(21,22)15(25,26)45-9-3-1-7(5-11(9)47(37,38)35-49(41,42)17(29,30)31)8-2-4-10(46-16(27,28)14(20,23)24)12(6-8)48(39,40)36-50(43,44)18(32,33)34;;/h1-6H;;/q-2;2*+1
InChIKeyZUWPDPYLJQBIIJ-UHFFFAOYSA-N
XLogP1.10
TPSA183.22 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001010.28
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disodium;[2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-5-[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)-3-(trifluoromethylsulfonylazanidylsulfonyl)phenyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The IUPAC name of disodium;[2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-5-[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)-3-(trifluoromethylsulfonylazanidylsulfonyl)phenyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide (CID 18739162) is disodium;[2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-5-[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)-3-(trifluoromethylsulfonylazanidylsulfonyl)phenyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for disodium;[2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-5-[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)-3-(trifluoromethylsulfonylazanidylsulfonyl)phenyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for disodium;[2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-5-[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)-3-(trifluoromethylsulfonylazanidylsulfonyl)phenyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide is O=S(=O)([N-]S(=O)(=O)C(F)(F)F)c1cc(-c2ccc(OC(F)(F)C(F)(F)Br)c(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)c2)ccc1OC(F)(F)C(F)(F)Br.[Na+].[Na+].
What is the InChIKey of disodium;[2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-5-[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)-3-(trifluoromethylsulfonylazanidylsulfonyl)phenyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The InChIKey is ZUWPDPYLJQBIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6Br2F14N2O10S4.2Na/c19-13(21,22)15(25,26)45-9-3-1-7(5-11(9)47(37,38)35-49(41,42)17(29,30)31)8-2-4-10(46-16(27,28)14(20,23)24)12(6-8)48(39,40)36-50(43,44)18(32,33)34;;/h1-6H;;/q-2;2*+1.
What are the key properties of disodium;[2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-5-[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)-3-(trifluoromethylsulfonylazanidylsulfonyl)phenyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
disodium;[2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-5-[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)-3-(trifluoromethylsulfonylazanidylsulfonyl)phenyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 1010.28 g/mol, XLogP of 1.10, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;[2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-5-[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)-3-(trifluoromethylsulfonylazanidylsulfonyl)phenyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 18739162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).