(2R,4S)-1-(4-fluorophenyl)sulfonyl-4-methylazetidine-2-carboxylic acid

C11H12FNO4S — CID 125485640

IUPAC(2R,4S)-1-(4-fluorophenyl)sulfonyl-4-methylazetidine-2-carboxylic acid
SMILESC[C@H]1C[C@H](C(=O)O)N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO4S/c1-7-6-10(11(14)15)13(7)18(16,17)9-4-2-8(12)3-5-9/h2-5,7,10H,6H2,1H3,(H,14,15)/t7-,10+/m0/s1
InChIKeyXRNODLKDNIDXDI-OIBJUYFYSA-N
MW273.28 g/mol
LogP1.06
Rot. Bonds3

About (2R,4S)-1-(4-fluorophenyl)sulfonyl-4-methylazetidine-2-carboxylic acid

(2R,4S)-1-(4-fluorophenyl)sulfonyl-4-methylazetidine-2-carboxylic acid (PubChem CID 125485640) has the molecular formula C11H12FNO4S and a molecular weight of 273.28 g/mol. Its IUPAC name is (2R,4S)-1-(4-fluorophenyl)sulfonyl-4-methylazetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-1-(4-fluorophenyl)sulfonyl-4-methylazetidine-2-carboxylic acid
PubChem CID125485640
Molecular FormulaC11H12FNO4S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC Name(2R,4S)-1-(4-fluorophenyl)sulfonyl-4-methylazetidine-2-carboxylic acid
SMILESC[C@H]1C[C@H](C(=O)O)N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO4S/c1-7-6-10(11(14)15)13(7)18(16,17)9-4-2-8(12)3-5-9/h2-5,7,10H,6H2,1H3,(H,14,15)/t7-,10+/m0/s1
InChIKeyXRNODLKDNIDXDI-OIBJUYFYSA-N
XLogP1.06
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,4S)-1-(4-fluorophenyl)sulfonyl-4-methylazetidine-2-carboxylic acid 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 (2R,4S)-1-(4-fluorophenyl)sulfonyl-4-methylazetidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-1-(4-fluorophenyl)sulfonyl-4-methylazetidine-2-carboxylic acid (CID 125485640) is (2R,4S)-1-(4-fluorophenyl)sulfonyl-4-methylazetidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-1-(4-fluorophenyl)sulfonyl-4-methylazetidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-1-(4-fluorophenyl)sulfonyl-4-methylazetidine-2-carboxylic acid is C[C@H]1C[C@H](C(=O)O)N1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2R,4S)-1-(4-fluorophenyl)sulfonyl-4-methylazetidine-2-carboxylic acid?
The InChIKey is XRNODLKDNIDXDI-OIBJUYFYSA-N. The full InChI is InChI=1S/C11H12FNO4S/c1-7-6-10(11(14)15)13(7)18(16,17)9-4-2-8(12)3-5-9/h2-5,7,10H,6H2,1H3,(H,14,15)/t7-,10+/m0/s1.
What are the key properties of (2R,4S)-1-(4-fluorophenyl)sulfonyl-4-methylazetidine-2-carboxylic acid?
(2R,4S)-1-(4-fluorophenyl)sulfonyl-4-methylazetidine-2-carboxylic acid has a molecular weight of 273.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-(4-fluorophenyl)sulfonyl-4-methylazetidine-2-carboxylic acid is sourced from PubChem (CID 125485640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).