2,6-difluoro-3-(oxan-3-ylsulfamoyl)benzoic acid

C12H13F2NO5S — CID 63363895

IUPAC2,6-difluoro-3-(oxan-3-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1c(F)ccc(S(=O)(=O)NC2CCCOC2)c1F
InChIInChI=1S/C12H13F2NO5S/c13-8-3-4-9(11(14)10(8)12(16)17)21(18,19)15-7-2-1-5-20-6-7/h3-4,7,15H,1-2,5-6H2,(H,16,17)
InChIKeyRQJQOQNEKCROIR-UHFFFAOYSA-N
MW321.30 g/mol
LogP1.12
Rot. Bonds4

About 2,6-difluoro-3-(oxan-3-ylsulfamoyl)benzoic acid

2,6-difluoro-3-(oxan-3-ylsulfamoyl)benzoic acid (PubChem CID 63363895) has the molecular formula C12H13F2NO5S and a molecular weight of 321.30 g/mol. Its IUPAC name is 2,6-difluoro-3-(oxan-3-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,6-difluoro-3-(oxan-3-ylsulfamoyl)benzoic acid
PubChem CID63363895
Molecular FormulaC12H13F2NO5S
Molecular Weight321.30 g/mol
Exact Mass321.05
IUPAC Name2,6-difluoro-3-(oxan-3-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1c(F)ccc(S(=O)(=O)NC2CCCOC2)c1F
InChIInChI=1S/C12H13F2NO5S/c13-8-3-4-9(11(14)10(8)12(16)17)21(18,19)15-7-2-1-5-20-6-7/h3-4,7,15H,1-2,5-6H2,(H,16,17)
InChIKeyRQJQOQNEKCROIR-UHFFFAOYSA-N
XLogP1.12
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,6-difluoro-3-(oxan-3-ylsulfamoyl)benzoic 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 2,6-difluoro-3-(oxan-3-ylsulfamoyl)benzoic acid?
The IUPAC name of 2,6-difluoro-3-(oxan-3-ylsulfamoyl)benzoic acid (CID 63363895) is 2,6-difluoro-3-(oxan-3-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,6-difluoro-3-(oxan-3-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2,6-difluoro-3-(oxan-3-ylsulfamoyl)benzoic acid is O=C(O)c1c(F)ccc(S(=O)(=O)NC2CCCOC2)c1F.
What is the InChIKey of 2,6-difluoro-3-(oxan-3-ylsulfamoyl)benzoic acid?
The InChIKey is RQJQOQNEKCROIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO5S/c13-8-3-4-9(11(14)10(8)12(16)17)21(18,19)15-7-2-1-5-20-6-7/h3-4,7,15H,1-2,5-6H2,(H,16,17).
What are the key properties of 2,6-difluoro-3-(oxan-3-ylsulfamoyl)benzoic acid?
2,6-difluoro-3-(oxan-3-ylsulfamoyl)benzoic acid has a molecular weight of 321.30 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(oxan-3-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 63363895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).