3-(trifluoromethyl)azetidine-1-sulfonamide

C4H7F3N2O2S — CID 176812880

IUPAC3-(trifluoromethyl)azetidine-1-sulfonamide
SMILESNS(=O)(=O)N1CC(C(F)(F)F)C1
InChIInChI=1S/C4H7F3N2O2S/c5-4(6,7)3-1-9(2-3)12(8,10)11/h3H,1-2H2,(H2,8,10,11)
InChIKeyLERZFOYFJSULST-UHFFFAOYSA-N
MW204.17 g/mol
LogP-0.32
Rot. Bonds1

About 3-(trifluoromethyl)azetidine-1-sulfonamide

3-(trifluoromethyl)azetidine-1-sulfonamide (PubChem CID 176812880) has the molecular formula C4H7F3N2O2S and a molecular weight of 204.17 g/mol. Its IUPAC name is 3-(trifluoromethyl)azetidine-1-sulfonamide.

Molecular Properties

Compound Name3-(trifluoromethyl)azetidine-1-sulfonamide
PubChem CID176812880
Molecular FormulaC4H7F3N2O2S
Molecular Weight204.17 g/mol
Exact Mass204.02
IUPAC Name3-(trifluoromethyl)azetidine-1-sulfonamide
SMILESNS(=O)(=O)N1CC(C(F)(F)F)C1
InChIInChI=1S/C4H7F3N2O2S/c5-4(6,7)3-1-9(2-3)12(8,10)11/h3H,1-2H2,(H2,8,10,11)
InChIKeyLERZFOYFJSULST-UHFFFAOYSA-N
XLogP-0.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.17
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)azetidine-1-sulfonamide?
The IUPAC name of 3-(trifluoromethyl)azetidine-1-sulfonamide (CID 176812880) is 3-(trifluoromethyl)azetidine-1-sulfonamide.
What is the SMILES notation for 3-(trifluoromethyl)azetidine-1-sulfonamide?
The canonical SMILES for 3-(trifluoromethyl)azetidine-1-sulfonamide is NS(=O)(=O)N1CC(C(F)(F)F)C1.
What is the InChIKey of 3-(trifluoromethyl)azetidine-1-sulfonamide?
The InChIKey is LERZFOYFJSULST-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N2O2S/c5-4(6,7)3-1-9(2-3)12(8,10)11/h3H,1-2H2,(H2,8,10,11).
What are the key properties of 3-(trifluoromethyl)azetidine-1-sulfonamide?
3-(trifluoromethyl)azetidine-1-sulfonamide has a molecular weight of 204.17 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)azetidine-1-sulfonamide is sourced from PubChem (CID 176812880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).