N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane-1-sulfonamide

C14H6F25NO2S — CID 163324156

IUPACN-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane-1-sulfonamide
SMILESCCNS(=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)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H6F25NO2S/c1-2-40-43(41,42)14(38,39)12(33,34)10(29,30)8(25,26)6(21,22)4(17,18)3(15,16)5(19,20)7(23,24)9(27,28)11(31,32)13(35,36)37/h40H,2H2,1H3
InChIKeyBWJDOLYKJRIITN-UHFFFAOYSA-N
MW727.22 g/mol
LogP7.43
Rot. Bonds13

About N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane-1-sulfonamide

N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane-1-sulfonamide (PubChem CID 163324156) has the molecular formula C14H6F25NO2S and a molecular weight of 727.22 g/mol. Its IUPAC name is N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane-1-sulfonamide
PubChem CID163324156
Molecular FormulaC14H6F25NO2S
Molecular Weight727.22 g/mol
Exact Mass726.97
IUPAC NameN-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane-1-sulfonamide
SMILESCCNS(=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)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H6F25NO2S/c1-2-40-43(41,42)14(38,39)12(33,34)10(29,30)8(25,26)6(21,22)4(17,18)3(15,16)5(19,20)7(23,24)9(27,28)11(31,32)13(35,36)37/h40H,2H2,1H3
InChIKeyBWJDOLYKJRIITN-UHFFFAOYSA-N
XLogP7.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.22
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Volcano
CID 77797
1-Heptanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methyl-
CID 109951
1-Heptanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-
CID 111914
N-Methylperfluorooctanesulfonamide
CID 3034468
N-(3-aminopropyl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
CID 20436299
N-(3-aminopropyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonamide
CID 49869204
N-ethyl perfluorobutanesulfonamide
CID 14661392
N-Ethyl perfluorohexylsulfonamide
CID 14661393
N-Ethyl perfluoropentane sulfonamide
CID 19931110
N-Ethyl-d5-perfluorooctanesulfonamide
CID 102145672
N-Methyl-d3-perfluorooctanesulfonamide
CID 102403774
N-Propyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
CID 14512906

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane-1-sulfonamide?
The IUPAC name of N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane-1-sulfonamide (CID 163324156) is N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane-1-sulfonamide.
What is the SMILES notation for N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane-1-sulfonamide?
The canonical SMILES for N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane-1-sulfonamide is CCNS(=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)C(F)(F)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane-1-sulfonamide?
The InChIKey is BWJDOLYKJRIITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F25NO2S/c1-2-40-43(41,42)14(38,39)12(33,34)10(29,30)8(25,26)6(21,22)4(17,18)3(15,16)5(19,20)7(23,24)9(27,28)11(31,32)13(35,36)37/h40H,2H2,1H3.
What are the key properties of N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane-1-sulfonamide?
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane-1-sulfonamide has a molecular weight of 727.22 g/mol, XLogP of 7.43, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane-1-sulfonamide is sourced from PubChem (CID 163324156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).