methoxysulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide

C5H3F9NO5S2- — CID 140897825

IUPACmethoxysulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide
SMILESCOS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F9NO5S2/c1-20-22(18,19)15-21(16,17)5(13,14)3(8,9)2(6,7)4(10,11)12/h1H3/q-1
InChIKeyMTQHCEDWHBRFDX-UHFFFAOYSA-N
MW392.20 g/mol
LogP2.01
Rot. Bonds6

About methoxysulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide

methoxysulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide (PubChem CID 140897825) has the molecular formula C5H3F9NO5S2- and a molecular weight of 392.20 g/mol. Its IUPAC name is methoxysulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide.

Molecular Properties

Compound Namemethoxysulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide
PubChem CID140897825
Molecular FormulaC5H3F9NO5S2-
Molecular Weight392.20 g/mol
Exact Mass391.93
IUPAC Namemethoxysulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide
SMILESCOS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F9NO5S2/c1-20-22(18,19)15-21(16,17)5(13,14)3(8,9)2(6,7)4(10,11)12/h1H3/q-1
InChIKeyMTQHCEDWHBRFDX-UHFFFAOYSA-N
XLogP2.01
TPSA91.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.20
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

copper bis(bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide)
CID 25185926
sodium bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)azanide
CID 154724969
potassium bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)azanide
CID 154703557
hexalithium;[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2,3,3,4,4-octafluoro-4-(trifluoromethylsulfonylazanidylsulfonyl)butyl]sulfonylazanidylsulfonylbutyl]sulfonylazanidylsulfonylbutyl]sulfonylazanidylsulfonylbutyl]sulfonylazanidylsulfonylbutyl]sulfonyl-(trifluoromethylsulfonyl)azanide
CID 177414090
methyl 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)acetate
CID 53386603
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-heptatetracontafluorotricosylsulfonyl 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-heptatetracontafluorotricosane-1-sulfonate
CID 88836150
(4-methoxyphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 10740082
sodium bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide
CID 87423860
methanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 144756171
cyclohexyloxysulfonyl-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylazanide
CID 140750706
sodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(2,2,3,3,4,4,5,5,5-nonafluoropentanoyl)azanide
CID 171725718
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl methyl sulfate
CID 134426835

Frequently Asked Questions

What is the IUPAC name of methoxysulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide?
The IUPAC name of methoxysulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide (CID 140897825) is methoxysulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide.
What is the SMILES notation for methoxysulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide?
The canonical SMILES for methoxysulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide is COS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of methoxysulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide?
The InChIKey is MTQHCEDWHBRFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F9NO5S2/c1-20-22(18,19)15-21(16,17)5(13,14)3(8,9)2(6,7)4(10,11)12/h1H3/q-1.
What are the key properties of methoxysulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide?
methoxysulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide has a molecular weight of 392.20 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxysulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide is sourced from PubChem (CID 140897825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).