N-(trifluoromethyl)hexadecane-1-sulfonamide

C17H34F3NO2S — CID 58427285

IUPACN-(trifluoromethyl)hexadecane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCCS(=O)(=O)NC(F)(F)F
InChIInChI=1S/C17H34F3NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(22,23)21-17(18,19)20/h21H,2-16H2,1H3
InChIKeyVQUKKGKMOHANOJ-UHFFFAOYSA-N
MW373.53 g/mol
LogP5.91
Rot. Bonds16

About N-(trifluoromethyl)hexadecane-1-sulfonamide

N-(trifluoromethyl)hexadecane-1-sulfonamide (PubChem CID 58427285) has the molecular formula C17H34F3NO2S and a molecular weight of 373.53 g/mol. Its IUPAC name is N-(trifluoromethyl)hexadecane-1-sulfonamide.

Molecular Properties

Compound NameN-(trifluoromethyl)hexadecane-1-sulfonamide
PubChem CID58427285
Molecular FormulaC17H34F3NO2S
Molecular Weight373.53 g/mol
Exact Mass373.23
IUPAC NameN-(trifluoromethyl)hexadecane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCCS(=O)(=O)NC(F)(F)F
InChIInChI=1S/C17H34F3NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(22,23)21-17(18,19)20/h21H,2-16H2,1H3
InChIKeyVQUKKGKMOHANOJ-UHFFFAOYSA-N
XLogP5.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.53
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)hexadecane-1-sulfonamide?
The IUPAC name of N-(trifluoromethyl)hexadecane-1-sulfonamide (CID 58427285) is N-(trifluoromethyl)hexadecane-1-sulfonamide.
What is the SMILES notation for N-(trifluoromethyl)hexadecane-1-sulfonamide?
The canonical SMILES for N-(trifluoromethyl)hexadecane-1-sulfonamide is CCCCCCCCCCCCCCCCS(=O)(=O)NC(F)(F)F.
What is the InChIKey of N-(trifluoromethyl)hexadecane-1-sulfonamide?
The InChIKey is VQUKKGKMOHANOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34F3NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(22,23)21-17(18,19)20/h21H,2-16H2,1H3.
What are the key properties of N-(trifluoromethyl)hexadecane-1-sulfonamide?
N-(trifluoromethyl)hexadecane-1-sulfonamide has a molecular weight of 373.53 g/mol, XLogP of 5.91, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)hexadecane-1-sulfonamide is sourced from PubChem (CID 58427285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).