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

C12H13N3O5S — CID 61283338

IUPAC2-hydroxy-4-methyl-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid
SMILESCc1cc(O)c(C(=O)O)cc1S(=O)(=O)NCc1ccn[nH]1
InChIInChI=1S/C12H13N3O5S/c1-7-4-10(16)9(12(17)18)5-11(7)21(19,20)14-6-8-2-3-13-15-8/h2-5,14,16H,6H2,1H3,(H,13,15)(H,17,18)
InChIKeyQWAMJDYQZMXNRY-UHFFFAOYSA-N
MW311.32 g/mol
LogP0.60
Rot. Bonds5

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

2-hydroxy-4-methyl-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid (PubChem CID 61283338) has the molecular formula C12H13N3O5S and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-methyl-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid
PubChem CID61283338
Molecular FormulaC12H13N3O5S
Molecular Weight311.32 g/mol
Exact Mass311.06
IUPAC Name2-hydroxy-4-methyl-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid
SMILESCc1cc(O)c(C(=O)O)cc1S(=O)(=O)NCc1ccn[nH]1
InChIInChI=1S/C12H13N3O5S/c1-7-4-10(16)9(12(17)18)5-11(7)21(19,20)14-6-8-2-3-13-15-8/h2-5,14,16H,6H2,1H3,(H,13,15)(H,17,18)
InChIKeyQWAMJDYQZMXNRY-UHFFFAOYSA-N
XLogP0.60
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-4-methyl-5-(1H-pyrazol-5-ylmethylsulfamoyl)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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid?
The IUPAC name of 2-hydroxy-4-methyl-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid (CID 61283338) is 2-hydroxy-4-methyl-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-methyl-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid?
The canonical SMILES for 2-hydroxy-4-methyl-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid is Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)NCc1ccn[nH]1.
What is the InChIKey of 2-hydroxy-4-methyl-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid?
The InChIKey is QWAMJDYQZMXNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5S/c1-7-4-10(16)9(12(17)18)5-11(7)21(19,20)14-6-8-2-3-13-15-8/h2-5,14,16H,6H2,1H3,(H,13,15)(H,17,18).
What are the key properties of 2-hydroxy-4-methyl-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid?
2-hydroxy-4-methyl-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid has a molecular weight of 311.32 g/mol, XLogP of 0.60, 5 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-5-ylmethylsulfamoyl)benzoic acid is sourced from PubChem (CID 61283338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).