4-(2-fluoro-4-sulfamoylanilino)oxolane-3-carboxylic acid

C11H13FN2O5S — CID 66238717

IUPAC4-(2-fluoro-4-sulfamoylanilino)oxolane-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc(NC2COCC2C(=O)O)c(F)c1
InChIInChI=1S/C11H13FN2O5S/c12-8-3-6(20(13,17)18)1-2-9(8)14-10-5-19-4-7(10)11(15)16/h1-3,7,10,14H,4-5H2,(H,15,16)(H2,13,17,18)
InChIKeySVFIFYBLBACVNR-UHFFFAOYSA-N
MW304.30 g/mol
LogP-0.02
Rot. Bonds4

About 4-(2-fluoro-4-sulfamoylanilino)oxolane-3-carboxylic acid

4-(2-fluoro-4-sulfamoylanilino)oxolane-3-carboxylic acid (PubChem CID 66238717) has the molecular formula C11H13FN2O5S and a molecular weight of 304.30 g/mol. Its IUPAC name is 4-(2-fluoro-4-sulfamoylanilino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluoro-4-sulfamoylanilino)oxolane-3-carboxylic acid
PubChem CID66238717
Molecular FormulaC11H13FN2O5S
Molecular Weight304.30 g/mol
Exact Mass304.05
IUPAC Name4-(2-fluoro-4-sulfamoylanilino)oxolane-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc(NC2COCC2C(=O)O)c(F)c1
InChIInChI=1S/C11H13FN2O5S/c12-8-3-6(20(13,17)18)1-2-9(8)14-10-5-19-4-7(10)11(15)16/h1-3,7,10,14H,4-5H2,(H,15,16)(H2,13,17,18)
InChIKeySVFIFYBLBACVNR-UHFFFAOYSA-N
XLogP-0.02
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(2-fluoro-4-sulfamoylanilino)oxolane-3-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 4-(2-fluoro-4-sulfamoylanilino)oxolane-3-carboxylic acid?
The IUPAC name of 4-(2-fluoro-4-sulfamoylanilino)oxolane-3-carboxylic acid (CID 66238717) is 4-(2-fluoro-4-sulfamoylanilino)oxolane-3-carboxylic acid.
What is the SMILES notation for 4-(2-fluoro-4-sulfamoylanilino)oxolane-3-carboxylic acid?
The canonical SMILES for 4-(2-fluoro-4-sulfamoylanilino)oxolane-3-carboxylic acid is NS(=O)(=O)c1ccc(NC2COCC2C(=O)O)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-sulfamoylanilino)oxolane-3-carboxylic acid?
The InChIKey is SVFIFYBLBACVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O5S/c12-8-3-6(20(13,17)18)1-2-9(8)14-10-5-19-4-7(10)11(15)16/h1-3,7,10,14H,4-5H2,(H,15,16)(H2,13,17,18).
What are the key properties of 4-(2-fluoro-4-sulfamoylanilino)oxolane-3-carboxylic acid?
4-(2-fluoro-4-sulfamoylanilino)oxolane-3-carboxylic acid has a molecular weight of 304.30 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-sulfamoylanilino)oxolane-3-carboxylic acid is sourced from PubChem (CID 66238717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).