1,1,2-trifluoro-N-methyl-N-(1,1,2-trifluoroethylsulfonyl)ethanesulfonamide

C5H7F6NO4S2 — CID 123797305

IUPAC1,1,2-trifluoro-N-methyl-N-(1,1,2-trifluoroethylsulfonyl)ethanesulfonamide
SMILESCN(S(=O)(=O)C(F)(F)CF)S(=O)(=O)C(F)(F)CF
InChIInChI=1S/C5H7F6NO4S2/c1-12(17(13,14)4(8,9)2-6)18(15,16)5(10,11)3-7/h2-3H2,1H3
InChIKeyAWEVGBRYGJCGMG-UHFFFAOYSA-N
MW323.24 g/mol
LogP0.70
Rot. Bonds6

About 1,1,2-trifluoro-N-methyl-N-(1,1,2-trifluoroethylsulfonyl)ethanesulfonamide

1,1,2-trifluoro-N-methyl-N-(1,1,2-trifluoroethylsulfonyl)ethanesulfonamide (PubChem CID 123797305) has the molecular formula C5H7F6NO4S2 and a molecular weight of 323.24 g/mol. Its IUPAC name is 1,1,2-trifluoro-N-methyl-N-(1,1,2-trifluoroethylsulfonyl)ethanesulfonamide.

Molecular Properties

Compound Name1,1,2-trifluoro-N-methyl-N-(1,1,2-trifluoroethylsulfonyl)ethanesulfonamide
PubChem CID123797305
Molecular FormulaC5H7F6NO4S2
Molecular Weight323.24 g/mol
Exact Mass322.97
IUPAC Name1,1,2-trifluoro-N-methyl-N-(1,1,2-trifluoroethylsulfonyl)ethanesulfonamide
SMILESCN(S(=O)(=O)C(F)(F)CF)S(=O)(=O)C(F)(F)CF
InChIInChI=1S/C5H7F6NO4S2/c1-12(17(13,14)4(8,9)2-6)18(15,16)5(10,11)3-7/h2-3H2,1H3
InChIKeyAWEVGBRYGJCGMG-UHFFFAOYSA-N
XLogP0.70
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 58152795
1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)butane-1-sulfonamide
CID 11342381
2,2,2-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 312737
1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)butane-1-sulfonamide
CID 57983880
N-(1,1-difluoroethylsulfonyl)-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
CID 57983884
1,1,2,2-tetrafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)propane-1-sulfonamide
CID 57983888
1,1-difluoro-N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 57983892
1,1,2,2-tetrafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 57983894
1,1,2,2,3,3-hexafluoro-N-(trifluoromethylsulfonyl)butane-1-sulfonamide
CID 57983895
1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2-tetrafluoropropylsulfonyl)propane-1-sulfonamide
CID 57983896
N-(1,1-difluoroethylsulfonyl)-1,1,2,2,2-pentafluoroethanesulfonamide
CID 57983898
1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)butane-1-sulfonamide
CID 57983899

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-N-methyl-N-(1,1,2-trifluoroethylsulfonyl)ethanesulfonamide?
The IUPAC name of 1,1,2-trifluoro-N-methyl-N-(1,1,2-trifluoroethylsulfonyl)ethanesulfonamide (CID 123797305) is 1,1,2-trifluoro-N-methyl-N-(1,1,2-trifluoroethylsulfonyl)ethanesulfonamide.
What is the SMILES notation for 1,1,2-trifluoro-N-methyl-N-(1,1,2-trifluoroethylsulfonyl)ethanesulfonamide?
The canonical SMILES for 1,1,2-trifluoro-N-methyl-N-(1,1,2-trifluoroethylsulfonyl)ethanesulfonamide is CN(S(=O)(=O)C(F)(F)CF)S(=O)(=O)C(F)(F)CF.
What is the InChIKey of 1,1,2-trifluoro-N-methyl-N-(1,1,2-trifluoroethylsulfonyl)ethanesulfonamide?
The InChIKey is AWEVGBRYGJCGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F6NO4S2/c1-12(17(13,14)4(8,9)2-6)18(15,16)5(10,11)3-7/h2-3H2,1H3.
What are the key properties of 1,1,2-trifluoro-N-methyl-N-(1,1,2-trifluoroethylsulfonyl)ethanesulfonamide?
1,1,2-trifluoro-N-methyl-N-(1,1,2-trifluoroethylsulfonyl)ethanesulfonamide has a molecular weight of 323.24 g/mol, XLogP of 0.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-N-methyl-N-(1,1,2-trifluoroethylsulfonyl)ethanesulfonamide is sourced from PubChem (CID 123797305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).