potassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]acetate

C11H7F15KNO4S — CID 23677340

IUPACpotassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]acetate
SMILESCCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+]
InChIInChI=1S/C11H8F15NO4S.K/c1-2-27(3-4(28)29)32(30,31)11(25,26)9(20,21)7(16,17)5(12,13)6(14,15)8(18,19)10(22,23)24;/h2-3H2,1H3,(H,28,29);/q;+1/p-1
InChIKeyPVNCAZFPZMEICM-UHFFFAOYSA-M
MW573.31 g/mol
LogP-0.28
Rot. Bonds10

About potassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]acetate

potassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]acetate (PubChem CID 23677340) has the molecular formula C11H7F15KNO4S and a molecular weight of 573.31 g/mol. Its IUPAC name is potassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]acetate.

Molecular Properties

Compound Namepotassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]acetate
PubChem CID23677340
Molecular FormulaC11H7F15KNO4S
Molecular Weight573.31 g/mol
Exact Mass572.95
IUPAC Namepotassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]acetate
SMILESCCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+]
InChIInChI=1S/C11H8F15NO4S.K/c1-2-27(3-4(28)29)32(30,31)11(25,26)9(20,21)7(16,17)5(12,13)6(14,15)8(18,19)10(22,23)24;/h2-3H2,1H3,(H,28,29);/q;+1/p-1
InChIKeyPVNCAZFPZMEICM-UHFFFAOYSA-M
XLogP-0.28
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze potassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]acetate with MolForge

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Related Compounds

2-(N-Methylperfluorooctanesulfonamido)acetic acid
CID 22286931
N-Ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycine
CID 18134
potassium N-perfluorooctylsulfonyl-N-ethylglycinate
CID 23691014
Glycine, N-ethyl-N-[(1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl]-
CID 105441
N-ethyl-N-((undecafluoropentyl)sulphonyl)glycine
CID 105443
Glycine, N-ethyl-N-((1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl)-
CID 105445
Glycine, N-ethyl-N-((1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)sulfonyl)-
CID 105456
Ammonium N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinate
CID 165058
Potassium N-[(heptadecafluorooctyl)sulphonyl]-N-propylglycinate
CID 23673599
glycine, n-ethyl-n-((nonafluorobutyl)sulfonyl)-, potassium salt
CID 23677337
Glycine, N-ethyl-N-[(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)sulfonyl]-, potassium salt (1:1)
CID 23677338
Glycine, N-ethyl-N-((1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl)-, potassium salt (1:1)
CID 23677339

Frequently Asked Questions

What is the IUPAC name of potassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]acetate?
The IUPAC name of potassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]acetate (CID 23677340) is potassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]acetate.
What is the SMILES notation for potassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]acetate?
The canonical SMILES for potassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]acetate is CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+].
What is the InChIKey of potassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]acetate?
The InChIKey is PVNCAZFPZMEICM-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H8F15NO4S.K/c1-2-27(3-4(28)29)32(30,31)11(25,26)9(20,21)7(16,17)5(12,13)6(14,15)8(18,19)10(22,23)24;/h2-3H2,1H3,(H,28,29);/q;+1/p-1.
What are the key properties of potassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]acetate?
potassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]acetate has a molecular weight of 573.31 g/mol, XLogP of -0.28, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]acetate is sourced from PubChem (CID 23677340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).