Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-((1,1,2,2,2-pentafluoroethyl)sulfonyl)-, compd. with N,N-diethylethanamine (1:1)

C10H16F10N2O4S2 — CID 44152150

IUPACN,N-diethylethanamine;1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
SMILESCCN(CC)CC.C(C(F)(F)S(=O)(=O)NS(=O)(=O)C(C(F)(F)F)(F)F)(F)(F)F
InChIInChI=1S/C6H15N.C4HF10NO4S2/c1-4-7(5-2)6-3;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10/h4-6H2,1-3H3;15H
InChIKeyAGUUDALNHFNOEH-UHFFFAOYSA-N
MW482.40 g/mol
LogP—
Rot. Bonds7

About Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-((1,1,2,2,2-pentafluoroethyl)sulfonyl)-, compd. with N,N-diethylethanamine (1:1)

Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-((1,1,2,2,2-pentafluoroethyl)sulfonyl)-, compd. with N,N-diethylethanamine (1:1) (PubChem CID 44152150) has the molecular formula C10H16F10N2O4S2 and a molecular weight of 482.40 g/mol. Its IUPAC name is N,N-diethylethanamine;1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide.

Molecular Properties

Compound NameEthanesulfonamide, 1,1,2,2,2-pentafluoro-N-((1,1,2,2,2-pentafluoroethyl)sulfonyl)-, compd. with N,N-diethylethanamine (1:1)
PubChem CID44152150
Molecular FormulaC10H16F10N2O4S2
Molecular Weight482.40 g/mol
Exact Mass482.04
IUPAC NameN,N-diethylethanamine;1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
SMILESCCN(CC)CC.C(C(F)(F)S(=O)(=O)NS(=O)(=O)C(C(F)(F)F)(F)F)(F)(F)F
InChIInChI=1S/C6H15N.C4HF10NO4S2/c1-4-7(5-2)6-3;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10/h4-6H2,1-3H3;15H
InChIKeyAGUUDALNHFNOEH-UHFFFAOYSA-N
XLogP—
TPSA100.00 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms28
Complexity559

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-((1,1,2,2,2-pentafluoroethyl)sulfonyl)-, compd. with N,N-diethylethanamine (1:1) with MolForge

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Related Compounds

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CID 44630019
Tetraethylammonium bistrifluoromethanesulfonimidate
CID 16218644
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CID 53384436
Triethylbutylammonium bis(trifluoromethylsulfonyl)imide
CID 121235741
Ethyldimethylpropylammonium bis(trifluoromethylsulfonyl)imide
CID 71310880
Triethylammonium bis(trifluoromethylsulfonyl)imide
CID 11014427
Dimethylpropylbutylammonium bis[(trifluoromethyl)sulfonyl]imide
CID 129852838
Triethyl(methoxymethyl)ammonium bis(trifluoromethylsulfonyl)imide
CID 131739080
Butylethyldimethylammonium bis(trifluoromethylsulfonyl)amide
CID 134612634
N,N-diethyl-N-methyl-N-(n-propyl)ammonium bis(trifluoromethylsulfonyl) amide
CID 134716373
N,N-diethyl-N-methyl-N-(n-butyl)ammonium bis(trifluoromethylsulfonyl) amide
CID 134716396
Triethyl(trifluoromethylsulfonyl)azanium;trifluoromethanesulfonate
CID 134917356

Frequently Asked Questions

What is the IUPAC name of Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-((1,1,2,2,2-pentafluoroethyl)sulfonyl)-, compd. with N,N-diethylethanamine (1:1)?
The IUPAC name of Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-((1,1,2,2,2-pentafluoroethyl)sulfonyl)-, compd. with N,N-diethylethanamine (1:1) (CID 44152150) is N,N-diethylethanamine;1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide.
What is the SMILES notation for Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-((1,1,2,2,2-pentafluoroethyl)sulfonyl)-, compd. with N,N-diethylethanamine (1:1)?
The canonical SMILES for Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-((1,1,2,2,2-pentafluoroethyl)sulfonyl)-, compd. with N,N-diethylethanamine (1:1) is CCN(CC)CC.C(C(F)(F)S(=O)(=O)NS(=O)(=O)C(C(F)(F)F)(F)F)(F)(F)F.
What is the InChIKey of Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-((1,1,2,2,2-pentafluoroethyl)sulfonyl)-, compd. with N,N-diethylethanamine (1:1)?
The InChIKey is AGUUDALNHFNOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4HF10NO4S2/c1-4-7(5-2)6-3;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10/h4-6H2,1-3H3;15H.
What are the key properties of Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-((1,1,2,2,2-pentafluoroethyl)sulfonyl)-, compd. with N,N-diethylethanamine (1:1)?
Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-((1,1,2,2,2-pentafluoroethyl)sulfonyl)-, compd. with N,N-diethylethanamine (1:1) has a molecular weight of 482.40 g/mol, XLogP of not available, 7 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-((1,1,2,2,2-pentafluoroethyl)sulfonyl)-, compd. with N,N-diethylethanamine (1:1) is sourced from PubChem (CID 44152150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).