6-[(2,4-difluorophenyl)sulfamoyl]pyridine-3-carboxylic acid

C12H8F2N2O4S — CID 63872962

IUPAC6-[(2,4-difluorophenyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2F)nc1
InChIInChI=1S/C12H8F2N2O4S/c13-8-2-3-10(9(14)5-8)16-21(19,20)11-4-1-7(6-15-11)12(17)18/h1-6,16H,(H,17,18)
InChIKeyIKDLVDLCHZTXQZ-UHFFFAOYSA-N
MW314.27 g/mol
LogP1.86
Rot. Bonds4

About 6-[(2,4-difluorophenyl)sulfamoyl]pyridine-3-carboxylic acid

6-[(2,4-difluorophenyl)sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 63872962) has the molecular formula C12H8F2N2O4S and a molecular weight of 314.27 g/mol. Its IUPAC name is 6-[(2,4-difluorophenyl)sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2,4-difluorophenyl)sulfamoyl]pyridine-3-carboxylic acid
PubChem CID63872962
Molecular FormulaC12H8F2N2O4S
Molecular Weight314.27 g/mol
Exact Mass314.02
IUPAC Name6-[(2,4-difluorophenyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2F)nc1
InChIInChI=1S/C12H8F2N2O4S/c13-8-2-3-10(9(14)5-8)16-21(19,20)11-4-1-7(6-15-11)12(17)18/h1-6,16H,(H,17,18)
InChIKeyIKDLVDLCHZTXQZ-UHFFFAOYSA-N
XLogP1.86
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-fluoro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873772
6-[(3-fluoro-4-hydroxyphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 64782041
6-[(2,5-dichlorophenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872022
6-[(3-fluoro-4-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873343
6-[(2,5-dimethylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873742
3-fluoro-4-[(3-fluorophenyl)sulfonylamino]benzoic acid
CID 63190334
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
6-[(4-methylsulfanylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872781
6-[(3-chloro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872589
6-(pyridin-2-ylsulfamoyl)pyridine-3-carboxylic acid
CID 63872213
6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid
CID 107848275
4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid
CID 8501109

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-difluorophenyl)sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(2,4-difluorophenyl)sulfamoyl]pyridine-3-carboxylic acid (CID 63872962) is 6-[(2,4-difluorophenyl)sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2,4-difluorophenyl)sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2,4-difluorophenyl)sulfamoyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2F)nc1.
What is the InChIKey of 6-[(2,4-difluorophenyl)sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is IKDLVDLCHZTXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O4S/c13-8-2-3-10(9(14)5-8)16-21(19,20)11-4-1-7(6-15-11)12(17)18/h1-6,16H,(H,17,18).
What are the key properties of 6-[(2,4-difluorophenyl)sulfamoyl]pyridine-3-carboxylic acid?
6-[(2,4-difluorophenyl)sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 314.27 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-difluorophenyl)sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63872962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).