N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonamide

C14H10F21NO2S — CID 18421315

IUPACN,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H10F21NO2S/c1-3-36(4-2)39(37,38)14(34,35)12(29,30)10(25,26)8(21,22)6(17,18)5(15,16)7(19,20)9(23,24)11(27,28)13(31,32)33/h3-4H2,1-2H3
InChIKeyNHIKKIFSTDTVDQ-UHFFFAOYSA-N
MW655.26 g/mol
LogP6.90
Rot. Bonds12

About N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonamide

N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonamide (PubChem CID 18421315) has the molecular formula C14H10F21NO2S and a molecular weight of 655.26 g/mol. Its IUPAC name is N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonamide
PubChem CID18421315
Molecular FormulaC14H10F21NO2S
Molecular Weight655.26 g/mol
Exact Mass655.01
IUPAC NameN,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H10F21NO2S/c1-3-36(4-2)39(37,38)14(34,35)12(29,30)10(25,26)8(21,22)6(17,18)5(15,16)7(19,20)9(23,24)11(27,28)13(31,32)33/h3-4H2,1-2H3
InChIKeyNHIKKIFSTDTVDQ-UHFFFAOYSA-N
XLogP6.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.26
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonamide with MolForge

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Related Compounds

Tetraethylammonium perfluorooctanesulfonate
CID 92531
Heptadecafluorooctane-1-sulphonamide, compound with triethylamine (1:1)
CID 15276836
N,N-Dimethyl perfluorooctane sulfonamide
CID 21418853
CID 139597631
CID 139597631
N,N-Dibutyl-N-methylbutan-1-aminium heptadecafluorooctane-1-sulfonate
CID 21079924
N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-methylhexane-1-sulfonamide
CID 22665224
1-Propanesulfonic acid, 3-[ethyl[(heptadecafluorooctyl)sulfonyl]amino]-, sodium salt
CID 23704381
1-Octanesulfonamide, N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, potassium salt
CID 177842284
N,N-Diethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide
CID 125498317
N,N,N-Trimethyl-3-[methyl(perfluorooctanesulfonyl)amino]propan-1-aminium
CID 139594654
AI 3-10707
CID 159193
Tetraethylammonium perfluoroheptane sulfonate
CID 21455515

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonamide?
The IUPAC name of N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonamide (CID 18421315) is N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonamide?
The canonical SMILES for N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonamide is CCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonamide?
The InChIKey is NHIKKIFSTDTVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F21NO2S/c1-3-36(4-2)39(37,38)14(34,35)12(29,30)10(25,26)8(21,22)6(17,18)5(15,16)7(19,20)9(23,24)11(27,28)13(31,32)33/h3-4H2,1-2H3.
What are the key properties of N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonamide?
N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonamide has a molecular weight of 655.26 g/mol, XLogP of 6.90, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonamide is sourced from PubChem (CID 18421315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).