6-[(3-fluoro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid

C13H11FN2O4S — CID 63873772

IUPAC6-[(3-fluoro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCc1c(F)cccc1NS(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C13H11FN2O4S/c1-8-10(14)3-2-4-11(8)16-21(19,20)12-6-5-9(7-15-12)13(17)18/h2-7,16H,1H3,(H,17,18)
InChIKeySGKOZJPDNBGFMO-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.03
Rot. Bonds4

About 6-[(3-fluoro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid

6-[(3-fluoro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 63873772) has the molecular formula C13H11FN2O4S and a molecular weight of 310.31 g/mol. Its IUPAC name is 6-[(3-fluoro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-fluoro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
PubChem CID63873772
Molecular FormulaC13H11FN2O4S
Molecular Weight310.31 g/mol
Exact Mass310.04
IUPAC Name6-[(3-fluoro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCc1c(F)cccc1NS(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C13H11FN2O4S/c1-8-10(14)3-2-4-11(8)16-21(19,20)12-6-5-9(7-15-12)13(17)18/h2-7,16H,1H3,(H,17,18)
InChIKeySGKOZJPDNBGFMO-UHFFFAOYSA-N
XLogP2.03
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-chloro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872589
6-[(2,4-difluorophenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872962
6-[(3-fluoro-4-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873343
6-[(2,5-dimethylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873742
6-[(3-fluoro-4-hydroxyphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 64782041
6-[(2,5-dichlorophenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872022
6-[(4-methylsulfanylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872781
6-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]pyridine-3-carboxylic acid
CID 113433482
6-methylsulfonylpyridine-3-carboxylic acid
CID 53429616
6-(pyridin-2-ylsulfamoyl)pyridine-3-carboxylic acid
CID 63872213
6-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]pyridine-3-carboxylic acid
CID 63874506
N-(3-fluoro-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103305047

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluoro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-fluoro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid (CID 63873772) is 6-[(3-fluoro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-fluoro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-fluoro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid is Cc1c(F)cccc1NS(=O)(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[(3-fluoro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is SGKOZJPDNBGFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4S/c1-8-10(14)3-2-4-11(8)16-21(19,20)12-6-5-9(7-15-12)13(17)18/h2-7,16H,1H3,(H,17,18).
What are the key properties of 6-[(3-fluoro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid?
6-[(3-fluoro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 310.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluoro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63873772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).