1,1,2,2,3-pentafluoro-N-(fluoromethylsulfonyl)-N-methylpropane-1-sulfonamide

C5H7F6NO4S2 — CID 123766494

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

About 1,1,2,2,3-pentafluoro-N-(fluoromethylsulfonyl)-N-methylpropane-1-sulfonamide

1,1,2,2,3-pentafluoro-N-(fluoromethylsulfonyl)-N-methylpropane-1-sulfonamide (PubChem CID 123766494) has the molecular formula C5H7F6NO4S2 and a molecular weight of 323.24 g/mol. Its IUPAC name is 1,1,2,2,3-pentafluoro-N-(fluoromethylsulfonyl)-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3-pentafluoro-N-(fluoromethylsulfonyl)-N-methylpropane-1-sulfonamide
PubChem CID123766494
Molecular FormulaC5H7F6NO4S2
Molecular Weight323.24 g/mol
Exact Mass322.97
IUPAC Name1,1,2,2,3-pentafluoro-N-(fluoromethylsulfonyl)-N-methylpropane-1-sulfonamide
SMILESCN(S(=O)(=O)CF)S(=O)(=O)C(F)(F)C(F)(F)CF
InChIInChI=1S/C5H7F6NO4S2/c1-12(17(13,14)3-7)18(15,16)5(10,11)4(8,9)2-6/h2-3H2,1H3
InChIKeyHHLNYUXSGZYFPL-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

Computed Properties (RDKit)

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

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Related Compounds

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
[S-(difluoromethyl)-N-(1-fluorobutan-2-ylsulfonyl)sulfonimidoyl] hypofluorite
CID 20705431
4,4,5,5-Tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 57583623
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
1,1,2,2-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
1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)butane-1-sulfonamide
CID 57983899
1,1,2,2,3-pentafluoro-N-methylsulfonylpropane-1-sulfonamide
CID 58108248

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3-pentafluoro-N-(fluoromethylsulfonyl)-N-methylpropane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3-pentafluoro-N-(fluoromethylsulfonyl)-N-methylpropane-1-sulfonamide (CID 123766494) is 1,1,2,2,3-pentafluoro-N-(fluoromethylsulfonyl)-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3-pentafluoro-N-(fluoromethylsulfonyl)-N-methylpropane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3-pentafluoro-N-(fluoromethylsulfonyl)-N-methylpropane-1-sulfonamide is CN(S(=O)(=O)CF)S(=O)(=O)C(F)(F)C(F)(F)CF.
What is the InChIKey of 1,1,2,2,3-pentafluoro-N-(fluoromethylsulfonyl)-N-methylpropane-1-sulfonamide?
The InChIKey is HHLNYUXSGZYFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F6NO4S2/c1-12(17(13,14)3-7)18(15,16)5(10,11)4(8,9)2-6/h2-3H2,1H3.
What are the key properties of 1,1,2,2,3-pentafluoro-N-(fluoromethylsulfonyl)-N-methylpropane-1-sulfonamide?
1,1,2,2,3-pentafluoro-N-(fluoromethylsulfonyl)-N-methylpropane-1-sulfonamide 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 1,1,2,2,3-pentafluoro-N-(fluoromethylsulfonyl)-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 123766494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).