2-hydroxy-4-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid

C12H13N3O5S — CID 63822246

IUPAC2-hydroxy-4-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
SMILESCc1cc(NS(=O)(=O)c2cc(C(=O)O)c(O)cc2C)n[nH]1
InChIInChI=1S/C12H13N3O5S/c1-6-3-9(16)8(12(17)18)5-10(6)21(19,20)15-11-4-7(2)13-14-11/h3-5,16H,1-2H3,(H,17,18)(H2,13,14,15)
InChIKeyOQSMKXQBYBYFDX-UHFFFAOYSA-N
MW311.32 g/mol
LogP1.23
Rot. Bonds4

About 2-hydroxy-4-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid

2-hydroxy-4-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid (PubChem CID 63822246) has the molecular formula C12H13N3O5S and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
PubChem CID63822246
Molecular FormulaC12H13N3O5S
Molecular Weight311.32 g/mol
Exact Mass311.06
IUPAC Name2-hydroxy-4-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
SMILESCc1cc(NS(=O)(=O)c2cc(C(=O)O)c(O)cc2C)n[nH]1
InChIInChI=1S/C12H13N3O5S/c1-6-3-9(16)8(12(17)18)5-10(6)21(19,20)15-11-4-7(2)13-14-11/h3-5,16H,1-2H3,(H,17,18)(H2,13,14,15)
InChIKeyOQSMKXQBYBYFDX-UHFFFAOYSA-N
XLogP1.23
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 63823159
5-[(2,5-Dimethylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid
CID 29042030
2-hydroxy-4-methyl-5-(1H-pyrazol-4-ylsulfamoyl)benzoic acid
CID 43540191
5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2-hydroxybenzoic acid
CID 43547666
methyl 2-hydroxy-5-(1H-indazol-3-ylsulfamoyl)benzoate
CID 53621466
2-hydroxy-5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]benzoic acid
CID 61004287
2-hydroxy-4-methyl-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid
CID 61283338
2-hydroxy-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid
CID 61286273
2-hydroxy-4-methyl-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid
CID 61393794
2-hydroxy-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid
CID 61393868
3,4-dimethyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 63820599
4-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 63820973

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid?
The IUPAC name of 2-hydroxy-4-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid (CID 63822246) is 2-hydroxy-4-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-hydroxy-4-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid is Cc1cc(NS(=O)(=O)c2cc(C(=O)O)c(O)cc2C)n[nH]1.
What is the InChIKey of 2-hydroxy-4-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid?
The InChIKey is OQSMKXQBYBYFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5S/c1-6-3-9(16)8(12(17)18)5-10(6)21(19,20)15-11-4-7(2)13-14-11/h3-5,16H,1-2H3,(H,17,18)(H2,13,14,15).
What are the key properties of 2-hydroxy-4-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid?
2-hydroxy-4-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid has a molecular weight of 311.32 g/mol, XLogP of 1.23, 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-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 63822246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).