1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-N-(2-hydroxyethyl)-N-propyldodecane-1-sulfonamide

C17H22F15NO3S — CID 141273803

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-N-(2-hydroxyethyl)-N-propyldodecane-1-sulfonamide
SMILESCCCCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N(CCC)CCO
InChIInChI=1S/C17H22F15NO3S/c1-3-5-6-10(18)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)37(35,36)33(7-4-2)8-9-34/h10,34H,3-9H2,1-2H3
InChIKeyCJEZZEHNCJUZPS-UHFFFAOYSA-N
MW605.40 g/mol
LogP5.95
Rot. Bonds16

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-N-(2-hydroxyethyl)-N-propyldodecane-1-sulfonamide

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-N-(2-hydroxyethyl)-N-propyldodecane-1-sulfonamide (PubChem CID 141273803) has the molecular formula C17H22F15NO3S and a molecular weight of 605.40 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-N-(2-hydroxyethyl)-N-propyldodecane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-N-(2-hydroxyethyl)-N-propyldodecane-1-sulfonamide
PubChem CID141273803
Molecular FormulaC17H22F15NO3S
Molecular Weight605.40 g/mol
Exact Mass605.11
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-N-(2-hydroxyethyl)-N-propyldodecane-1-sulfonamide
SMILESCCCCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N(CCC)CCO
InChIInChI=1S/C17H22F15NO3S/c1-3-5-6-10(18)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)37(35,36)33(7-4-2)8-9-34/h10,34H,3-9H2,1-2H3
InChIKeyCJEZZEHNCJUZPS-UHFFFAOYSA-N
XLogP5.95
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.40
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-N-(2-hydroxyethyl)-N-propyldodecane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-N-(2-hydroxyethyl)-N-propyldodecane-1-sulfonamide (CID 141273803) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-N-(2-hydroxyethyl)-N-propyldodecane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-N-(2-hydroxyethyl)-N-propyldodecane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-N-(2-hydroxyethyl)-N-propyldodecane-1-sulfonamide is CCCCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N(CCC)CCO.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-N-(2-hydroxyethyl)-N-propyldodecane-1-sulfonamide?
The InChIKey is CJEZZEHNCJUZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F15NO3S/c1-3-5-6-10(18)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)37(35,36)33(7-4-2)8-9-34/h10,34H,3-9H2,1-2H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-N-(2-hydroxyethyl)-N-propyldodecane-1-sulfonamide?
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-N-(2-hydroxyethyl)-N-propyldodecane-1-sulfonamide has a molecular weight of 605.40 g/mol, XLogP of 5.95, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-N-(2-hydroxyethyl)-N-propyldodecane-1-sulfonamide is sourced from PubChem (CID 141273803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).