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-pentacosafluoro-N-methyldodecane-1-sulfonamide

C13H4F25NO2S — CID 163324218

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluoro-N-methyldodecane-1-sulfonamide
SMILESCNS(=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/C13H4F25NO2S/c1-39-42(40,41)13(37,38)11(32,33)9(28,29)7(24,25)5(20,21)3(16,17)2(14,15)4(18,19)6(22,23)8(26,27)10(30,31)12(34,35)36/h39H,1H3
InChIKeyNQFWIXJUMNDNQW-UHFFFAOYSA-N
MW713.20 g/mol
LogP7.04
Rot. Bonds12

About 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-pentacosafluoro-N-methyldodecane-1-sulfonamide

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-pentacosafluoro-N-methyldodecane-1-sulfonamide (PubChem CID 163324218) has the molecular formula C13H4F25NO2S and a molecular weight of 713.20 g/mol. Its IUPAC name is 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-pentacosafluoro-N-methyldodecane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluoro-N-methyldodecane-1-sulfonamide
PubChem CID163324218
Molecular FormulaC13H4F25NO2S
Molecular Weight713.20 g/mol
Exact Mass712.96
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluoro-N-methyldodecane-1-sulfonamide
SMILESCNS(=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/C13H4F25NO2S/c1-39-42(40,41)13(37,38)11(32,33)9(28,29)7(24,25)5(20,21)3(16,17)2(14,15)4(18,19)6(22,23)8(26,27)10(30,31)12(34,35)36/h39H,1H3
InChIKeyNQFWIXJUMNDNQW-UHFFFAOYSA-N
XLogP7.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.20
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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-pentacosafluoro-N-methyldodecane-1-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluoro-N-methyldodecane-1-sulfonamide?
The IUPAC name of 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-pentacosafluoro-N-methyldodecane-1-sulfonamide (CID 163324218) is 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-pentacosafluoro-N-methyldodecane-1-sulfonamide.
What is the SMILES notation for 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-pentacosafluoro-N-methyldodecane-1-sulfonamide?
The canonical SMILES for 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-pentacosafluoro-N-methyldodecane-1-sulfonamide is CNS(=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 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-pentacosafluoro-N-methyldodecane-1-sulfonamide?
The InChIKey is NQFWIXJUMNDNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4F25NO2S/c1-39-42(40,41)13(37,38)11(32,33)9(28,29)7(24,25)5(20,21)3(16,17)2(14,15)4(18,19)6(22,23)8(26,27)10(30,31)12(34,35)36/h39H,1H3.
What are the key properties of 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-pentacosafluoro-N-methyldodecane-1-sulfonamide?
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-pentacosafluoro-N-methyldodecane-1-sulfonamide has a molecular weight of 713.20 g/mol, XLogP of 7.04, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluoro-N-methyldodecane-1-sulfonamide is sourced from PubChem (CID 163324218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).