1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluoro-N-methyldecane-1-sulfonamide

C11H4F21NO2S — CID 18947356

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluoro-N-methyldecane-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)F
InChIInChI=1S/C11H4F21NO2S/c1-33-36(34,35)11(31,32)9(26,27)7(22,23)5(18,19)3(14,15)2(12,13)4(16,17)6(20,21)8(24,25)10(28,29)30/h33H,1H3
InChIKeyAYBGRXUELWRNSY-UHFFFAOYSA-N
MW613.18 g/mol
LogP5.77
Rot. Bonds10

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluoro-N-methyldecane-1-sulfonamide

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluoro-N-methyldecane-1-sulfonamide (PubChem CID 18947356) has the molecular formula C11H4F21NO2S and a molecular weight of 613.18 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluoro-N-methyldecane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluoro-N-methyldecane-1-sulfonamide
PubChem CID18947356
Molecular FormulaC11H4F21NO2S
Molecular Weight613.18 g/mol
Exact Mass612.96
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluoro-N-methyldecane-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)F
InChIInChI=1S/C11H4F21NO2S/c1-33-36(34,35)11(31,32)9(26,27)7(22,23)5(18,19)3(14,15)2(12,13)4(16,17)6(20,21)8(24,25)10(28,29)30/h33H,1H3
InChIKeyAYBGRXUELWRNSY-UHFFFAOYSA-N
XLogP5.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.18
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluoro-N-methyldecane-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

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluoro-N-methyldecane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluoro-N-methyldecane-1-sulfonamide (CID 18947356) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluoro-N-methyldecane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluoro-N-methyldecane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluoro-N-methyldecane-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)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluoro-N-methyldecane-1-sulfonamide?
The InChIKey is AYBGRXUELWRNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F21NO2S/c1-33-36(34,35)11(31,32)9(26,27)7(22,23)5(18,19)3(14,15)2(12,13)4(16,17)6(20,21)8(24,25)10(28,29)30/h33H,1H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluoro-N-methyldecane-1-sulfonamide?
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluoro-N-methyldecane-1-sulfonamide has a molecular weight of 613.18 g/mol, XLogP of 5.77, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluoro-N-methyldecane-1-sulfonamide is sourced from PubChem (CID 18947356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).