1,1,2,2,2-pentafluoro-N-methylsulfonylethanesulfonamide

C3H4F5NO4S2 — CID 58981321

IUPAC1,1,2,2,2-pentafluoro-N-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)NS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C3H4F5NO4S2/c1-14(10,11)9-15(12,13)3(7,8)2(4,5)6/h9H,1H3
InChIKeyMCYOJXXLQWDOFV-UHFFFAOYSA-N
MW277.19 g/mol
LogP0.02
Rot. Bonds3

About 1,1,2,2,2-pentafluoro-N-methylsulfonylethanesulfonamide

1,1,2,2,2-pentafluoro-N-methylsulfonylethanesulfonamide (PubChem CID 58981321) has the molecular formula C3H4F5NO4S2 and a molecular weight of 277.19 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoro-N-methylsulfonylethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoro-N-methylsulfonylethanesulfonamide
PubChem CID58981321
Molecular FormulaC3H4F5NO4S2
Molecular Weight277.19 g/mol
Exact Mass276.95
IUPAC Name1,1,2,2,2-pentafluoro-N-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)NS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C3H4F5NO4S2/c1-14(10,11)9-15(12,13)3(7,8)2(4,5)6/h9H,1H3
InChIKeyMCYOJXXLQWDOFV-UHFFFAOYSA-N
XLogP0.02
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 18352286
2,2,2-trifluoro-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide
CID 22061690
1,1,2,2-Tetrafluoroethane-1,2-disulfonamide
CID 23062174
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 1,1,2,2,2-pentafluoro-N-methylsulfonylethanesulfonamide?
The IUPAC name of 1,1,2,2,2-pentafluoro-N-methylsulfonylethanesulfonamide (CID 58981321) is 1,1,2,2,2-pentafluoro-N-methylsulfonylethanesulfonamide.
What is the SMILES notation for 1,1,2,2,2-pentafluoro-N-methylsulfonylethanesulfonamide?
The canonical SMILES for 1,1,2,2,2-pentafluoro-N-methylsulfonylethanesulfonamide is CS(=O)(=O)NS(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoro-N-methylsulfonylethanesulfonamide?
The InChIKey is MCYOJXXLQWDOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F5NO4S2/c1-14(10,11)9-15(12,13)3(7,8)2(4,5)6/h9H,1H3.
What are the key properties of 1,1,2,2,2-pentafluoro-N-methylsulfonylethanesulfonamide?
1,1,2,2,2-pentafluoro-N-methylsulfonylethanesulfonamide has a molecular weight of 277.19 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoro-N-methylsulfonylethanesulfonamide is sourced from PubChem (CID 58981321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).