6-[(3-fluoro-4-hydroxyphenyl)sulfamoyl]pyridine-3-carboxylic acid

C12H9FN2O5S — CID 64782041

IUPAC6-[(3-fluoro-4-hydroxyphenyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2)nc1
InChIInChI=1S/C12H9FN2O5S/c13-9-5-8(2-3-10(9)16)15-21(19,20)11-4-1-7(6-14-11)12(17)18/h1-6,15-16H,(H,17,18)
InChIKeyGOOJCTVHKGXSRF-UHFFFAOYSA-N
MW312.28 g/mol
LogP1.43
Rot. Bonds4

About 6-[(3-fluoro-4-hydroxyphenyl)sulfamoyl]pyridine-3-carboxylic acid

6-[(3-fluoro-4-hydroxyphenyl)sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 64782041) has the molecular formula C12H9FN2O5S and a molecular weight of 312.28 g/mol. Its IUPAC name is 6-[(3-fluoro-4-hydroxyphenyl)sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-fluoro-4-hydroxyphenyl)sulfamoyl]pyridine-3-carboxylic acid
PubChem CID64782041
Molecular FormulaC12H9FN2O5S
Molecular Weight312.28 g/mol
Exact Mass312.02
IUPAC Name6-[(3-fluoro-4-hydroxyphenyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2)nc1
InChIInChI=1S/C12H9FN2O5S/c13-9-5-8(2-3-10(9)16)15-21(19,20)11-4-1-7(6-14-11)12(17)18/h1-6,15-16H,(H,17,18)
InChIKeyGOOJCTVHKGXSRF-UHFFFAOYSA-N
XLogP1.43
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

6-[(3-fluoro-4-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873343
6-[(4-methylsulfanylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872781
6-[(2,4-difluorophenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872962
6-[(3-fluoro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873772
4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 64781477
6-[(2,5-dichlorophenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872022
5,6-dichloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-sulfonamide
CID 64782411
6-(pyridin-2-ylsulfamoyl)pyridine-3-carboxylic acid
CID 63872213
6-[(2,5-dimethylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873742
6-[(1-ethylpyrazol-4-yl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872227
1-ethyl-N-(3-fluoro-4-hydroxyphenyl)imidazole-4-sulfonamide
CID 79372689
6-[(2-hydroxyphenyl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 114331356

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluoro-4-hydroxyphenyl)sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-fluoro-4-hydroxyphenyl)sulfamoyl]pyridine-3-carboxylic acid (CID 64782041) is 6-[(3-fluoro-4-hydroxyphenyl)sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-fluoro-4-hydroxyphenyl)sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-fluoro-4-hydroxyphenyl)sulfamoyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2)nc1.
What is the InChIKey of 6-[(3-fluoro-4-hydroxyphenyl)sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is GOOJCTVHKGXSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O5S/c13-9-5-8(2-3-10(9)16)15-21(19,20)11-4-1-7(6-14-11)12(17)18/h1-6,15-16H,(H,17,18).
What are the key properties of 6-[(3-fluoro-4-hydroxyphenyl)sulfamoyl]pyridine-3-carboxylic acid?
6-[(3-fluoro-4-hydroxyphenyl)sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 312.28 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluoro-4-hydroxyphenyl)sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 64782041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).