1,1,1-trifluoro-N-tetradecylmethanesulfonamide

C15H30F3NO2S — CID 87227476

IUPAC1,1,1-trifluoro-N-tetradecylmethanesulfonamide
SMILESCCCCCCCCCCCCCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C15H30F3NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-22(20,21)15(16,17)18/h19H,2-14H2,1H3
InChIKeySCVDYCHDFRNACI-UHFFFAOYSA-N
MW345.47 g/mol
LogP5.13
Rot. Bonds14

About 1,1,1-trifluoro-N-tetradecylmethanesulfonamide

1,1,1-trifluoro-N-tetradecylmethanesulfonamide (PubChem CID 87227476) has the molecular formula C15H30F3NO2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-tetradecylmethanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-tetradecylmethanesulfonamide
PubChem CID87227476
Molecular FormulaC15H30F3NO2S
Molecular Weight345.47 g/mol
Exact Mass345.19
IUPAC Name1,1,1-trifluoro-N-tetradecylmethanesulfonamide
SMILESCCCCCCCCCCCCCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C15H30F3NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-22(20,21)15(16,17)18/h19H,2-14H2,1H3
InChIKeySCVDYCHDFRNACI-UHFFFAOYSA-N
XLogP5.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.47
LogP ≤ 55.13
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 1,1,1-trifluoro-N-tetradecylmethanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-tetradecylmethanesulfonamide (CID 87227476) is 1,1,1-trifluoro-N-tetradecylmethanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-tetradecylmethanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-tetradecylmethanesulfonamide is CCCCCCCCCCCCCCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-tetradecylmethanesulfonamide?
The InChIKey is SCVDYCHDFRNACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F3NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-22(20,21)15(16,17)18/h19H,2-14H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-tetradecylmethanesulfonamide?
1,1,1-trifluoro-N-tetradecylmethanesulfonamide has a molecular weight of 345.47 g/mol, XLogP of 5.13, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-tetradecylmethanesulfonamide is sourced from PubChem (CID 87227476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).