1,1,2,2,2-pentafluoro-N-methylethanesulfonamide

C3H4F5NO2S — CID 59030189

IUPAC1,1,2,2,2-pentafluoro-N-methylethanesulfonamide
SMILESCNS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C3H4F5NO2S/c1-9-12(10,11)3(7,8)2(4,5)6/h9H,1H3
InChIKeyGCXWOVOUQXPQGA-UHFFFAOYSA-N
MW213.13 g/mol
LogP0.69
Rot. Bonds2

About 1,1,2,2,2-pentafluoro-N-methylethanesulfonamide

1,1,2,2,2-pentafluoro-N-methylethanesulfonamide (PubChem CID 59030189) has the molecular formula C3H4F5NO2S and a molecular weight of 213.13 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoro-N-methylethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoro-N-methylethanesulfonamide
PubChem CID59030189
Molecular FormulaC3H4F5NO2S
Molecular Weight213.13 g/mol
Exact Mass212.99
IUPAC Name1,1,2,2,2-pentafluoro-N-methylethanesulfonamide
SMILESCNS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C3H4F5NO2S/c1-9-12(10,11)3(7,8)2(4,5)6/h9H,1H3
InChIKeyGCXWOVOUQXPQGA-UHFFFAOYSA-N
XLogP0.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.13
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methylbutane-1-sulfonamide
CID 109968
Tridecafluoro-N-methylhexanesulphonamide
CID 109952
1-Pentanesulfonamide, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-methyl-
CID 109969
1,1,1-trifluoro-N-methyl-methanesulfonamide
CID 12489741
N-methyl perfluoro-1-propane sulfonamide
CID 22590244
2,2,2-trifluoro-N-methylethanesulfonamide
CID 20718422
1,1,3,3-tetrafluoro-N-methylbutane-1-sulfonamide
CID 57616834
1,1,3,3-tetrafluoro-N-methylpropane-1-sulfonamide
CID 58436063
1,1-difluoro-N-methylethanesulfonamide
CID 88487351
1,1,2,2,3,3-Hexafluoro-3-(methylsulfamoyl)propane-1-sulfinate
CID 89163152
1,1,2,2,3,3,4,4-Octafluoro-4-(methylsulfamoyl)butane-1-sulfinate
CID 89363044
1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide
CID 89367524

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoro-N-methylethanesulfonamide?
The IUPAC name of 1,1,2,2,2-pentafluoro-N-methylethanesulfonamide (CID 59030189) is 1,1,2,2,2-pentafluoro-N-methylethanesulfonamide.
What is the SMILES notation for 1,1,2,2,2-pentafluoro-N-methylethanesulfonamide?
The canonical SMILES for 1,1,2,2,2-pentafluoro-N-methylethanesulfonamide is CNS(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoro-N-methylethanesulfonamide?
The InChIKey is GCXWOVOUQXPQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F5NO2S/c1-9-12(10,11)3(7,8)2(4,5)6/h9H,1H3.
What are the key properties of 1,1,2,2,2-pentafluoro-N-methylethanesulfonamide?
1,1,2,2,2-pentafluoro-N-methylethanesulfonamide has a molecular weight of 213.13 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoro-N-methylethanesulfonamide is sourced from PubChem (CID 59030189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).