3-(fluoromethyl)azetidine-1-sulfonamide

C4H9FN2O2S — CID 134821819

IUPAC3-(fluoromethyl)azetidine-1-sulfonamide
SMILESNS(=O)(=O)N1CC(CF)C1
InChIInChI=1S/C4H9FN2O2S/c5-1-4-2-7(3-4)10(6,8)9/h4H,1-3H2,(H2,6,8,9)
InChIKeyWEDANMQMIADRGS-UHFFFAOYSA-N
MW168.19 g/mol
LogP-0.91
Rot. Bonds2

About 3-(fluoromethyl)azetidine-1-sulfonamide

3-(fluoromethyl)azetidine-1-sulfonamide (PubChem CID 134821819) has the molecular formula C4H9FN2O2S and a molecular weight of 168.19 g/mol. Its IUPAC name is 3-(fluoromethyl)azetidine-1-sulfonamide.

Molecular Properties

Compound Name3-(fluoromethyl)azetidine-1-sulfonamide
PubChem CID134821819
Molecular FormulaC4H9FN2O2S
Molecular Weight168.19 g/mol
Exact Mass168.04
IUPAC Name3-(fluoromethyl)azetidine-1-sulfonamide
SMILESNS(=O)(=O)N1CC(CF)C1
InChIInChI=1S/C4H9FN2O2S/c5-1-4-2-7(3-4)10(6,8)9/h4H,1-3H2,(H2,6,8,9)
InChIKeyWEDANMQMIADRGS-UHFFFAOYSA-N
XLogP-0.91
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(fluoromethyl)azetidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)azetidine-1-sulfonamide?
The IUPAC name of 3-(fluoromethyl)azetidine-1-sulfonamide (CID 134821819) is 3-(fluoromethyl)azetidine-1-sulfonamide.
What is the SMILES notation for 3-(fluoromethyl)azetidine-1-sulfonamide?
The canonical SMILES for 3-(fluoromethyl)azetidine-1-sulfonamide is NS(=O)(=O)N1CC(CF)C1.
What is the InChIKey of 3-(fluoromethyl)azetidine-1-sulfonamide?
The InChIKey is WEDANMQMIADRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FN2O2S/c5-1-4-2-7(3-4)10(6,8)9/h4H,1-3H2,(H2,6,8,9).
What are the key properties of 3-(fluoromethyl)azetidine-1-sulfonamide?
3-(fluoromethyl)azetidine-1-sulfonamide has a molecular weight of 168.19 g/mol, XLogP of -0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)azetidine-1-sulfonamide is sourced from PubChem (CID 134821819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).