N-dodecyl-1,1-difluoromethanesulfonamide

C13H27F2NO2S — CID 58435936

IUPACN-dodecyl-1,1-difluoromethanesulfonamide
SMILESCCCCCCCCCCCCNS(=O)(=O)C(F)F
InChIInChI=1S/C13H27F2NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-16-19(17,18)13(14)15/h13,16H,2-12H2,1H3
InChIKeyHFYHWCNQGZERPU-UHFFFAOYSA-N
MW299.43 g/mol
LogP4.05
Rot. Bonds13

About N-dodecyl-1,1-difluoromethanesulfonamide

N-dodecyl-1,1-difluoromethanesulfonamide (PubChem CID 58435936) has the molecular formula C13H27F2NO2S and a molecular weight of 299.43 g/mol. Its IUPAC name is N-dodecyl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-dodecyl-1,1-difluoromethanesulfonamide
PubChem CID58435936
Molecular FormulaC13H27F2NO2S
Molecular Weight299.43 g/mol
Exact Mass299.17
IUPAC NameN-dodecyl-1,1-difluoromethanesulfonamide
SMILESCCCCCCCCCCCCNS(=O)(=O)C(F)F
InChIInChI=1S/C13H27F2NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-16-19(17,18)13(14)15/h13,16H,2-12H2,1H3
InChIKeyHFYHWCNQGZERPU-UHFFFAOYSA-N
XLogP4.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-dodecyl-1,1-difluoromethanesulfonamide?
The IUPAC name of N-dodecyl-1,1-difluoromethanesulfonamide (CID 58435936) is N-dodecyl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-dodecyl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-dodecyl-1,1-difluoromethanesulfonamide is CCCCCCCCCCCCNS(=O)(=O)C(F)F.
What is the InChIKey of N-dodecyl-1,1-difluoromethanesulfonamide?
The InChIKey is HFYHWCNQGZERPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F2NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-16-19(17,18)13(14)15/h13,16H,2-12H2,1H3.
What are the key properties of N-dodecyl-1,1-difluoromethanesulfonamide?
N-dodecyl-1,1-difluoromethanesulfonamide has a molecular weight of 299.43 g/mol, XLogP of 4.05, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 58435936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).