N-ethyl-1,1,2,2,2-pentafluoroethanesulfonamide

C4H6F5NO2S — CID 44717412

IUPACN-ethyl-1,1,2,2,2-pentafluoroethanesulfonamide
SMILESCCNS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H6F5NO2S/c1-2-10-13(11,12)4(8,9)3(5,6)7/h10H,2H2,1H3
InChIKeyKXJBWHWYJPNGSY-UHFFFAOYSA-N
MW227.15 g/mol
LogP1.08
Rot. Bonds3

About N-ethyl-1,1,2,2,2-pentafluoroethanesulfonamide

N-ethyl-1,1,2,2,2-pentafluoroethanesulfonamide (PubChem CID 44717412) has the molecular formula C4H6F5NO2S and a molecular weight of 227.15 g/mol. Its IUPAC name is N-ethyl-1,1,2,2,2-pentafluoroethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1,1,2,2,2-pentafluoroethanesulfonamide
PubChem CID44717412
Molecular FormulaC4H6F5NO2S
Molecular Weight227.15 g/mol
Exact Mass227.00
IUPAC NameN-ethyl-1,1,2,2,2-pentafluoroethanesulfonamide
SMILESCCNS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H6F5NO2S/c1-2-10-13(11,12)4(8,9)3(5,6)7/h10H,2H2,1H3
InChIKeyKXJBWHWYJPNGSY-UHFFFAOYSA-N
XLogP1.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.15
LogP ≤ 51.08
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-Heptanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-
CID 111914
N-ethyl perfluorobutanesulfonamide
CID 14661392
N-Ethyl perfluorohexylsulfonamide
CID 14661393
N-Ethyl perfluoropentane sulfonamide
CID 19931110
N-Butyl-perfluorobutanesulfonamide
CID 86068657
N-Ethyl-1,1,1-trifluoromethanesulfonamide
CID 11229101
1,1,1-trifluoro-N-propylmethanesulfonamide
CID 43258989
Propyl perfluorohexane sulfonamide
CID 19931112
N-ethyl perfluoropropane sulfonamide
CID 129294817
N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide
CID 14928167
1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-propylpentane-1-sulfonamide
CID 19931113
N-ethyl-2,2,2-trifluoroethanesulfonamide
CID 20718448

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,2,2,2-pentafluoroethanesulfonamide?
The IUPAC name of N-ethyl-1,1,2,2,2-pentafluoroethanesulfonamide (CID 44717412) is N-ethyl-1,1,2,2,2-pentafluoroethanesulfonamide.
What is the SMILES notation for N-ethyl-1,1,2,2,2-pentafluoroethanesulfonamide?
The canonical SMILES for N-ethyl-1,1,2,2,2-pentafluoroethanesulfonamide is CCNS(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,2,2,2-pentafluoroethanesulfonamide?
The InChIKey is KXJBWHWYJPNGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F5NO2S/c1-2-10-13(11,12)4(8,9)3(5,6)7/h10H,2H2,1H3.
What are the key properties of N-ethyl-1,1,2,2,2-pentafluoroethanesulfonamide?
N-ethyl-1,1,2,2,2-pentafluoroethanesulfonamide has a molecular weight of 227.15 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,2,2,2-pentafluoroethanesulfonamide is sourced from PubChem (CID 44717412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).