2-hydroxy-4-methyl-5-(1H-pyrazol-4-ylsulfamoyl)benzoic acid

C11H11N3O5S — CID 43540191

IUPAC2-hydroxy-4-methyl-5-(1H-pyrazol-4-ylsulfamoyl)benzoic acid
SMILESCc1cc(O)c(C(=O)O)cc1S(=O)(=O)Nc1cn[nH]c1
InChIInChI=1S/C11H11N3O5S/c1-6-2-9(15)8(11(16)17)3-10(6)20(18,19)14-7-4-12-13-5-7/h2-5,14-15H,1H3,(H,12,13)(H,16,17)
InChIKeyQJVPLCILLPZNPG-UHFFFAOYSA-N
MW297.29 g/mol
LogP0.92
Rot. Bonds4

About 2-hydroxy-4-methyl-5-(1H-pyrazol-4-ylsulfamoyl)benzoic acid

2-hydroxy-4-methyl-5-(1H-pyrazol-4-ylsulfamoyl)benzoic acid (PubChem CID 43540191) has the molecular formula C11H11N3O5S and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-5-(1H-pyrazol-4-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-methyl-5-(1H-pyrazol-4-ylsulfamoyl)benzoic acid
PubChem CID43540191
Molecular FormulaC11H11N3O5S
Molecular Weight297.29 g/mol
Exact Mass297.04
IUPAC Name2-hydroxy-4-methyl-5-(1H-pyrazol-4-ylsulfamoyl)benzoic acid
SMILESCc1cc(O)c(C(=O)O)cc1S(=O)(=O)Nc1cn[nH]c1
InChIInChI=1S/C11H11N3O5S/c1-6-2-9(15)8(11(16)17)3-10(6)20(18,19)14-7-4-12-13-5-7/h2-5,14-15H,1H3,(H,12,13)(H,16,17)
InChIKeyQJVPLCILLPZNPG-UHFFFAOYSA-N
XLogP0.92
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-4-methyl-5-(1H-pyrazol-4-ylsulfamoyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-methyl-3-(1H-pyrazol-4-ylsulfamoyl)benzoic acid
CID 82890326
2-hydroxy-4-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 63822246
2,5-dibromo-4-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 81326724
2-hydroxy-5-[[2-(methanesulfonamido)phenyl]sulfamoyl]-4-methylbenzoic acid
CID 55676420
5-[[4-[2-(ethylamino)-2-oxoethyl]phenyl]sulfamoyl]-2-hydroxy-4-methylbenzoic acid
CID 38944051
2-hydroxy-5-(1-hydroxypropan-2-ylsulfamoyl)-4-methylbenzoic acid
CID 43499094
4,5-dimethyl-2-nitro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540522
2-hydroxy-4-methyl-5-(3-methylpentan-2-ylsulfamoyl)benzoic acid
CID 61395257
5-[(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid
CID 55603645
2-hydroxy-4-methyl-5-[[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzoic acid
CID 55767230
2-hydroxy-4-methyl-5-(piperidin-1-ylsulfamoyl)benzoic acid
CID 83004727
2-hydroxy-4-methyl-5-[3-(methylamino)propylsulfamoyl]benzoic acid
CID 61403390

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-5-(1H-pyrazol-4-ylsulfamoyl)benzoic acid?
The IUPAC name of 2-hydroxy-4-methyl-5-(1H-pyrazol-4-ylsulfamoyl)benzoic acid (CID 43540191) is 2-hydroxy-4-methyl-5-(1H-pyrazol-4-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-methyl-5-(1H-pyrazol-4-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2-hydroxy-4-methyl-5-(1H-pyrazol-4-ylsulfamoyl)benzoic acid is Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-hydroxy-4-methyl-5-(1H-pyrazol-4-ylsulfamoyl)benzoic acid?
The InChIKey is QJVPLCILLPZNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5S/c1-6-2-9(15)8(11(16)17)3-10(6)20(18,19)14-7-4-12-13-5-7/h2-5,14-15H,1H3,(H,12,13)(H,16,17).
What are the key properties of 2-hydroxy-4-methyl-5-(1H-pyrazol-4-ylsulfamoyl)benzoic acid?
2-hydroxy-4-methyl-5-(1H-pyrazol-4-ylsulfamoyl)benzoic acid has a molecular weight of 297.29 g/mol, XLogP of 0.92, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-5-(1H-pyrazol-4-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 43540191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).