N-(trifluoromethylsulfonyl)hexadecane-1-sulfonamide

C17H34F3NO4S2 — CID 59801424

IUPACN-(trifluoromethylsulfonyl)hexadecane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCCS(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C17H34F3NO4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26(22,23)21-27(24,25)17(18,19)20/h21H,2-16H2,1H3
InChIKeyKHERNLLKLNHEDW-UHFFFAOYSA-N
MW437.59 g/mol
LogP5.24
Rot. Bonds17

About N-(trifluoromethylsulfonyl)hexadecane-1-sulfonamide

N-(trifluoromethylsulfonyl)hexadecane-1-sulfonamide (PubChem CID 59801424) has the molecular formula C17H34F3NO4S2 and a molecular weight of 437.59 g/mol. Its IUPAC name is N-(trifluoromethylsulfonyl)hexadecane-1-sulfonamide.

Molecular Properties

Compound NameN-(trifluoromethylsulfonyl)hexadecane-1-sulfonamide
PubChem CID59801424
Molecular FormulaC17H34F3NO4S2
Molecular Weight437.59 g/mol
Exact Mass437.19
IUPAC NameN-(trifluoromethylsulfonyl)hexadecane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCCS(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C17H34F3NO4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26(22,23)21-27(24,25)17(18,19)20/h21H,2-16H2,1H3
InChIKeyKHERNLLKLNHEDW-UHFFFAOYSA-N
XLogP5.24
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.59
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(trifluoromethylsulfonyl)hexadecane-1-sulfonamide?
The IUPAC name of N-(trifluoromethylsulfonyl)hexadecane-1-sulfonamide (CID 59801424) is N-(trifluoromethylsulfonyl)hexadecane-1-sulfonamide.
What is the SMILES notation for N-(trifluoromethylsulfonyl)hexadecane-1-sulfonamide?
The canonical SMILES for N-(trifluoromethylsulfonyl)hexadecane-1-sulfonamide is CCCCCCCCCCCCCCCCS(=O)(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(trifluoromethylsulfonyl)hexadecane-1-sulfonamide?
The InChIKey is KHERNLLKLNHEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34F3NO4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26(22,23)21-27(24,25)17(18,19)20/h21H,2-16H2,1H3.
What are the key properties of N-(trifluoromethylsulfonyl)hexadecane-1-sulfonamide?
N-(trifluoromethylsulfonyl)hexadecane-1-sulfonamide has a molecular weight of 437.59 g/mol, XLogP of 5.24, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethylsulfonyl)hexadecane-1-sulfonamide is sourced from PubChem (CID 59801424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).