N-dodecyl-1,1,1-trifluoromethanesulfonamide

C13H26F3NO2S — CID 87227510

IUPACN-dodecyl-1,1,1-trifluoromethanesulfonamide
SMILESCCCCCCCCCCCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H26F3NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-17-20(18,19)13(14,15)16/h17H,2-12H2,1H3
InChIKeyFJZVSKDWYIYSQY-UHFFFAOYSA-N
MW317.42 g/mol
LogP4.35
Rot. Bonds12

About N-dodecyl-1,1,1-trifluoromethanesulfonamide

N-dodecyl-1,1,1-trifluoromethanesulfonamide (PubChem CID 87227510) has the molecular formula C13H26F3NO2S and a molecular weight of 317.42 g/mol. Its IUPAC name is N-dodecyl-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-dodecyl-1,1,1-trifluoromethanesulfonamide
PubChem CID87227510
Molecular FormulaC13H26F3NO2S
Molecular Weight317.42 g/mol
Exact Mass317.16
IUPAC NameN-dodecyl-1,1,1-trifluoromethanesulfonamide
SMILESCCCCCCCCCCCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H26F3NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-17-20(18,19)13(14,15)16/h17H,2-12H2,1H3
InChIKeyFJZVSKDWYIYSQY-UHFFFAOYSA-N
XLogP4.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 54.35
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-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-dodecyl-1,1,1-trifluoromethanesulfonamide (CID 87227510) is N-dodecyl-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-dodecyl-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-dodecyl-1,1,1-trifluoromethanesulfonamide is CCCCCCCCCCCCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-dodecyl-1,1,1-trifluoromethanesulfonamide?
The InChIKey is FJZVSKDWYIYSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-17-20(18,19)13(14,15)16/h17H,2-12H2,1H3.
What are the key properties of N-dodecyl-1,1,1-trifluoromethanesulfonamide?
N-dodecyl-1,1,1-trifluoromethanesulfonamide has a molecular weight of 317.42 g/mol, XLogP of 4.35, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 87227510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).