N-(trifluoromethyl)methanesulfonamide

C2H4F3NO2S — CID 23065543

IUPACN-(trifluoromethyl)methanesulfonamide
SMILESCS(=O)(=O)NC(F)(F)F
InChIInChI=1S/C2H4F3NO2S/c1-9(7,8)6-2(3,4)5/h6H,1H3
InChIKeyRNQOYQQOQWENQA-UHFFFAOYSA-N
MW163.12 g/mol
LogP0.06
Rot. Bonds1

About N-(trifluoromethyl)methanesulfonamide

N-(trifluoromethyl)methanesulfonamide (PubChem CID 23065543) has the molecular formula C2H4F3NO2S and a molecular weight of 163.12 g/mol. Its IUPAC name is N-(trifluoromethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(trifluoromethyl)methanesulfonamide
PubChem CID23065543
Molecular FormulaC2H4F3NO2S
Molecular Weight163.12 g/mol
Exact Mass162.99
IUPAC NameN-(trifluoromethyl)methanesulfonamide
SMILESCS(=O)(=O)NC(F)(F)F
InChIInChI=1S/C2H4F3NO2S/c1-9(7,8)6-2(3,4)5/h6H,1H3
InChIKeyRNQOYQQOQWENQA-UHFFFAOYSA-N
XLogP0.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.12
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)methanesulfonamide?
The IUPAC name of N-(trifluoromethyl)methanesulfonamide (CID 23065543) is N-(trifluoromethyl)methanesulfonamide.
What is the SMILES notation for N-(trifluoromethyl)methanesulfonamide?
The canonical SMILES for N-(trifluoromethyl)methanesulfonamide is CS(=O)(=O)NC(F)(F)F.
What is the InChIKey of N-(trifluoromethyl)methanesulfonamide?
The InChIKey is RNQOYQQOQWENQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F3NO2S/c1-9(7,8)6-2(3,4)5/h6H,1H3.
What are the key properties of N-(trifluoromethyl)methanesulfonamide?
N-(trifluoromethyl)methanesulfonamide has a molecular weight of 163.12 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)methanesulfonamide is sourced from PubChem (CID 23065543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).