6-[(2-hydroxyphenyl)methylsulfamoyl]pyridine-3-carboxylic acid

C13H12N2O5S — CID 114331356

IUPAC6-[(2-hydroxyphenyl)methylsulfamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCc2ccccc2O)nc1
InChIInChI=1S/C13H12N2O5S/c16-11-4-2-1-3-9(11)8-15-21(19,20)12-6-5-10(7-14-12)13(17)18/h1-7,15-16H,8H2,(H,17,18)
InChIKeyFYTGIBPKCNAKDM-UHFFFAOYSA-N
MW308.32 g/mol
LogP0.96
Rot. Bonds5

About 6-[(2-hydroxyphenyl)methylsulfamoyl]pyridine-3-carboxylic acid

6-[(2-hydroxyphenyl)methylsulfamoyl]pyridine-3-carboxylic acid (PubChem CID 114331356) has the molecular formula C13H12N2O5S and a molecular weight of 308.32 g/mol. Its IUPAC name is 6-[(2-hydroxyphenyl)methylsulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-hydroxyphenyl)methylsulfamoyl]pyridine-3-carboxylic acid
PubChem CID114331356
Molecular FormulaC13H12N2O5S
Molecular Weight308.32 g/mol
Exact Mass308.05
IUPAC Name6-[(2-hydroxyphenyl)methylsulfamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCc2ccccc2O)nc1
InChIInChI=1S/C13H12N2O5S/c16-11-4-2-1-3-9(11)8-15-21(19,20)12-6-5-10(7-14-12)13(17)18/h1-7,15-16H,8H2,(H,17,18)
InChIKeyFYTGIBPKCNAKDM-UHFFFAOYSA-N
XLogP0.96
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

6-[(2-chlorophenyl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 63873154
6-(pyridin-3-ylmethylsulfamoyl)pyridine-3-carboxylic acid
CID 63872025
6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 98574061
6-[(1-methylimidazol-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 63874522
6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid
CID 107848275
6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106275719
6-[2-(methylsulfamoyl)ethylsulfamoyl]pyridine-3-carboxylic acid
CID 106334984
6-(pyridin-2-ylsulfamoyl)pyridine-3-carboxylic acid
CID 63872213
6-[(3-hydroxycyclobutyl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 66005787
6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106142679
6-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 66090839
6-[(2-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
CID 107151272

Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxyphenyl)methylsulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(2-hydroxyphenyl)methylsulfamoyl]pyridine-3-carboxylic acid (CID 114331356) is 6-[(2-hydroxyphenyl)methylsulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2-hydroxyphenyl)methylsulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2-hydroxyphenyl)methylsulfamoyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)NCc2ccccc2O)nc1.
What is the InChIKey of 6-[(2-hydroxyphenyl)methylsulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is FYTGIBPKCNAKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S/c16-11-4-2-1-3-9(11)8-15-21(19,20)12-6-5-10(7-14-12)13(17)18/h1-7,15-16H,8H2,(H,17,18).
What are the key properties of 6-[(2-hydroxyphenyl)methylsulfamoyl]pyridine-3-carboxylic acid?
6-[(2-hydroxyphenyl)methylsulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 308.32 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxyphenyl)methylsulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114331356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).