1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-methylundecane-1-sulfonamide

C12H4F23NO2S — CID 163324217

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-methylundecane-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)F
InChIInChI=1S/C12H4F23NO2S/c1-36-39(37,38)12(34,35)10(29,30)8(25,26)6(21,22)4(17,18)2(13,14)3(15,16)5(19,20)7(23,24)9(27,28)11(31,32)33/h36H,1H3
InChIKeyXTYJZYCWZAWPFL-UHFFFAOYSA-N
MW663.19 g/mol
LogP6.41
Rot. Bonds11

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-methylundecane-1-sulfonamide

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-methylundecane-1-sulfonamide (PubChem CID 163324217) has the molecular formula C12H4F23NO2S and a molecular weight of 663.19 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-methylundecane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-methylundecane-1-sulfonamide
PubChem CID163324217
Molecular FormulaC12H4F23NO2S
Molecular Weight663.19 g/mol
Exact Mass662.96
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-methylundecane-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)F
InChIInChI=1S/C12H4F23NO2S/c1-36-39(37,38)12(34,35)10(29,30)8(25,26)6(21,22)4(17,18)2(13,14)3(15,16)5(19,20)7(23,24)9(27,28)11(31,32)33/h36H,1H3
InChIKeyXTYJZYCWZAWPFL-UHFFFAOYSA-N
XLogP6.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.19
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-methylundecane-1-sulfonamide with MolForge

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Related Compounds

Volcano
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1-Pentanesulfonamide, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-methyl-
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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,N-Dimethyl perfluorooctane sulfonamide
CID 21418853
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
N-Butylperfluorooctane-1-sulfonamide
CID 22149415

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-methylundecane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-methylundecane-1-sulfonamide (CID 163324217) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-methylundecane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-methylundecane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-methylundecane-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)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-methylundecane-1-sulfonamide?
The InChIKey is XTYJZYCWZAWPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4F23NO2S/c1-36-39(37,38)12(34,35)10(29,30)8(25,26)6(21,22)4(17,18)2(13,14)3(15,16)5(19,20)7(23,24)9(27,28)11(31,32)33/h36H,1H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-methylundecane-1-sulfonamide?
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-methylundecane-1-sulfonamide has a molecular weight of 663.19 g/mol, XLogP of 6.41, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-methylundecane-1-sulfonamide is sourced from PubChem (CID 163324217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).