2-adamantyloxysulfonyl-(1,1,2,2-tetrafluoro-4-hydroxybutyl)sulfonylazanide

C14H20F4NO6S2- — CID 140750763

IUPAC2-adamantyloxysulfonyl-(1,1,2,2-tetrafluoro-4-hydroxybutyl)sulfonylazanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)CCO)OC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H20F4NO6S2/c15-13(16,1-2-20)14(17,18)26(21,22)19-27(23,24)25-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12,20H,1-7H2/q-1
InChIKeyMOMGTZDODUCZEX-UHFFFAOYSA-N
MW438.44 g/mol
LogP2.39
Rot. Bonds8

About 2-adamantyloxysulfonyl-(1,1,2,2-tetrafluoro-4-hydroxybutyl)sulfonylazanide

2-adamantyloxysulfonyl-(1,1,2,2-tetrafluoro-4-hydroxybutyl)sulfonylazanide (PubChem CID 140750763) has the molecular formula C14H20F4NO6S2- and a molecular weight of 438.44 g/mol. Its IUPAC name is 2-adamantyloxysulfonyl-(1,1,2,2-tetrafluoro-4-hydroxybutyl)sulfonylazanide.

Molecular Properties

Compound Name2-adamantyloxysulfonyl-(1,1,2,2-tetrafluoro-4-hydroxybutyl)sulfonylazanide
PubChem CID140750763
Molecular FormulaC14H20F4NO6S2-
Molecular Weight438.44 g/mol
Exact Mass438.07
IUPAC Name2-adamantyloxysulfonyl-(1,1,2,2-tetrafluoro-4-hydroxybutyl)sulfonylazanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)CCO)OC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H20F4NO6S2/c15-13(16,1-2-20)14(17,18)26(21,22)19-27(23,24)25-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12,20H,1-7H2/q-1
InChIKeyMOMGTZDODUCZEX-UHFFFAOYSA-N
XLogP2.39
TPSA111.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-adamantyloxysulfonyl-[cyclopentyloxysulfonyl(difluoro)methyl]sulfonylazanide
CID 140750687
2-adamantyloxysulfonyl-[1,1,2,2,3,3,4,4-octafluoro-4-(2-oxopiperidin-1-yl)sulfonylbutyl]sulfonylazanide
CID 140750769
[4-(adamantane-1-carbonyloxy)-1,1,2,2-tetrafluorobutyl]sulfonyl-(trifluoromethylsulfonyl)azanide
CID 58100558
2-adamantyl N-(trifluoromethylsulfonyl)sulfamate
CID 122661154
methyl 2-(2-adamantyloxysulfonyl)-2,2-difluoroacetate
CID 175071168
oxolan-3-yloxysulfonyl(trifluoromethylsulfonyl)azanide
CID 140750805
[4-(dimethylamino)-1,1,2,2,3,3-hexafluoro-4-oxobutyl]sulfonyl-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxysulfonyl)azanide
CID 140750729
magnesium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;chloride
CID 140785394
cyclohexyloxysulfonyl-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylazanide
CID 140750706
1-(2-adamantyloxy)-2-fluoro-1-oxopropane-2-sulfonic acid
CID 123331204
bis(2-adamantyl) butanedioate
CID 91715078
2-(2-adamantyloxy)-2,2-difluoroacetate
CID 164747622

Frequently Asked Questions

What is the IUPAC name of 2-adamantyloxysulfonyl-(1,1,2,2-tetrafluoro-4-hydroxybutyl)sulfonylazanide?
The IUPAC name of 2-adamantyloxysulfonyl-(1,1,2,2-tetrafluoro-4-hydroxybutyl)sulfonylazanide (CID 140750763) is 2-adamantyloxysulfonyl-(1,1,2,2-tetrafluoro-4-hydroxybutyl)sulfonylazanide.
What is the SMILES notation for 2-adamantyloxysulfonyl-(1,1,2,2-tetrafluoro-4-hydroxybutyl)sulfonylazanide?
The canonical SMILES for 2-adamantyloxysulfonyl-(1,1,2,2-tetrafluoro-4-hydroxybutyl)sulfonylazanide is O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)CCO)OC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-adamantyloxysulfonyl-(1,1,2,2-tetrafluoro-4-hydroxybutyl)sulfonylazanide?
The InChIKey is MOMGTZDODUCZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F4NO6S2/c15-13(16,1-2-20)14(17,18)26(21,22)19-27(23,24)25-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12,20H,1-7H2/q-1.
What are the key properties of 2-adamantyloxysulfonyl-(1,1,2,2-tetrafluoro-4-hydroxybutyl)sulfonylazanide?
2-adamantyloxysulfonyl-(1,1,2,2-tetrafluoro-4-hydroxybutyl)sulfonylazanide has a molecular weight of 438.44 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyloxysulfonyl-(1,1,2,2-tetrafluoro-4-hydroxybutyl)sulfonylazanide is sourced from PubChem (CID 140750763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).