3,3,3-trifluoro-N-methylpropane-1-sulfonamide

C4H8F3NO2S — CID 88571719

IUPAC3,3,3-trifluoro-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c1-8-11(9,10)3-2-4(5,6)7/h8H,2-3H2,1H3
InChIKeyXYHFKSLCAPHXSB-UHFFFAOYSA-N
MW191.17 g/mol
LogP0.49
Rot. Bonds3

About 3,3,3-trifluoro-N-methylpropane-1-sulfonamide

3,3,3-trifluoro-N-methylpropane-1-sulfonamide (PubChem CID 88571719) has the molecular formula C4H8F3NO2S and a molecular weight of 191.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methylpropane-1-sulfonamide
PubChem CID88571719
Molecular FormulaC4H8F3NO2S
Molecular Weight191.17 g/mol
Exact Mass191.02
IUPAC Name3,3,3-trifluoro-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c1-8-11(9,10)3-2-4(5,6)7/h8H,2-3H2,1H3
InChIKeyXYHFKSLCAPHXSB-UHFFFAOYSA-N
XLogP0.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.17
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methylpropane-1-sulfonamide?
The IUPAC name of 3,3,3-trifluoro-N-methylpropane-1-sulfonamide (CID 88571719) is 3,3,3-trifluoro-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 3,3,3-trifluoro-N-methylpropane-1-sulfonamide?
The canonical SMILES for 3,3,3-trifluoro-N-methylpropane-1-sulfonamide is CNS(=O)(=O)CCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-methylpropane-1-sulfonamide?
The InChIKey is XYHFKSLCAPHXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO2S/c1-8-11(9,10)3-2-4(5,6)7/h8H,2-3H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-methylpropane-1-sulfonamide?
3,3,3-trifluoro-N-methylpropane-1-sulfonamide has a molecular weight of 191.17 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 88571719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).