3,3,3-trifluoro-2-methylpropane-1-sulfonamide

C4H8F3NO2S — CID 126718385

IUPAC3,3,3-trifluoro-2-methylpropane-1-sulfonamide
SMILESCC(CS(N)(=O)=O)C(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c1-3(4(5,6)7)2-11(8,9)10/h3H,2H2,1H3,(H2,8,9,10)
InChIKeyPTNOEVLJTZFUNE-UHFFFAOYSA-N
MW191.17 g/mol
LogP0.47
Rot. Bonds2

About 3,3,3-trifluoro-2-methylpropane-1-sulfonamide

3,3,3-trifluoro-2-methylpropane-1-sulfonamide (PubChem CID 126718385) has the molecular formula C4H8F3NO2S and a molecular weight of 191.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methylpropane-1-sulfonamide
PubChem CID126718385
Molecular FormulaC4H8F3NO2S
Molecular Weight191.17 g/mol
Exact Mass191.02
IUPAC Name3,3,3-trifluoro-2-methylpropane-1-sulfonamide
SMILESCC(CS(N)(=O)=O)C(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c1-3(4(5,6)7)2-11(8,9)10/h3H,2H2,1H3,(H2,8,9,10)
InChIKeyPTNOEVLJTZFUNE-UHFFFAOYSA-N
XLogP0.47
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.17
LogP ≤ 50.47
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-2-methylpropane-1-sulfonamide?
The IUPAC name of 3,3,3-trifluoro-2-methylpropane-1-sulfonamide (CID 126718385) is 3,3,3-trifluoro-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3,3,3-trifluoro-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3,3,3-trifluoro-2-methylpropane-1-sulfonamide is CC(CS(N)(=O)=O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methylpropane-1-sulfonamide?
The InChIKey is PTNOEVLJTZFUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO2S/c1-3(4(5,6)7)2-11(8,9)10/h3H,2H2,1H3,(H2,8,9,10).
What are the key properties of 3,3,3-trifluoro-2-methylpropane-1-sulfonamide?
3,3,3-trifluoro-2-methylpropane-1-sulfonamide has a molecular weight of 191.17 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 126718385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).