2-hydroxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzoic acid

C13H12N2O5S — CID 29285613

IUPAC2-hydroxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzoic acid
SMILESCc1cccc(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)n1
InChIInChI=1S/C13H12N2O5S/c1-8-3-2-4-12(14-8)15-21(19,20)9-5-6-11(16)10(7-9)13(17)18/h2-7,16H,1H3,(H,14,15)(H,17,18)
InChIKeyFPPUHLZAGVYUAK-UHFFFAOYSA-N
MW308.32 g/mol
LogP1.59
Rot. Bonds4

About 2-hydroxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzoic acid

2-hydroxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzoic acid (PubChem CID 29285613) has the molecular formula C13H12N2O5S and a molecular weight of 308.32 g/mol. Its IUPAC name is 2-hydroxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzoic acid
PubChem CID29285613
Molecular FormulaC13H12N2O5S
Molecular Weight308.32 g/mol
Exact Mass308.05
IUPAC Name2-hydroxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzoic acid
SMILESCc1cccc(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)n1
InChIInChI=1S/C13H12N2O5S/c1-8-3-2-4-12(14-8)15-21(19,20)9-5-6-11(16)10(7-9)13(17)18/h2-7,16H,1H3,(H,14,15)(H,17,18)
InChIKeyFPPUHLZAGVYUAK-UHFFFAOYSA-N
XLogP1.59
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid
CID 29042030
2-methoxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzamide
CID 146024539
5-[[4-[(3-carboxy-4-hydroxyphenyl)sulfonylamino]phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 25046771
2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 2133740
2-hydroxy-N-(6-methyl-2-pyridinyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43853684
5-[[(3-carboxy-4-hydroxyphenyl)sulfonylamino]sulfamoyl]-2-hydroxybenzoic acid
CID 170854611
2-chloro-5-[(6-fluoro-2-pyridinyl)sulfamoyl]benzoic acid
CID 116812704
N-(6-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 119055428
4-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 3857714
6-[(3-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 5263728
N-(6-methyl-2-pyridinyl)-1,3-dihydro-2-benzofuran-5-sulfonamide
CID 84584191
3-(1-aminoethyl)-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 43094459

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzoic acid (CID 29285613) is 2-hydroxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzoic acid is Cc1cccc(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)n1.
What is the InChIKey of 2-hydroxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzoic acid?
The InChIKey is FPPUHLZAGVYUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S/c1-8-3-2-4-12(14-8)15-21(19,20)9-5-6-11(16)10(7-9)13(17)18/h2-7,16H,1H3,(H,14,15)(H,17,18).
What are the key properties of 2-hydroxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzoic acid?
2-hydroxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzoic acid has a molecular weight of 308.32 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 29285613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).