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

C11H11N3O5S — CID 61393794

IUPAC2-hydroxy-4-methyl-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid
SMILESCc1cc(O)c(C(=O)O)cc1S(=O)(=O)Nc1ccn[nH]1
InChIInChI=1S/C11H11N3O5S/c1-6-4-8(15)7(11(16)17)5-9(6)20(18,19)14-10-2-3-12-13-10/h2-5,15H,1H3,(H,16,17)(H2,12,13,14)
InChIKeySXDLVYUFMISISG-UHFFFAOYSA-N
MW297.29 g/mol
LogP0.92
Rot. Bonds4

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

2-hydroxy-4-methyl-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid (PubChem CID 61393794) 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-5-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-methyl-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid
PubChem CID61393794
Molecular FormulaC11H11N3O5S
Molecular Weight297.29 g/mol
Exact Mass297.04
IUPAC Name2-hydroxy-4-methyl-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid
SMILESCc1cc(O)c(C(=O)O)cc1S(=O)(=O)Nc1ccn[nH]1
InChIInChI=1S/C11H11N3O5S/c1-6-4-8(15)7(11(16)17)5-9(6)20(18,19)14-10-2-3-12-13-10/h2-5,15H,1H3,(H,16,17)(H2,12,13,14)
InChIKeySXDLVYUFMISISG-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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid?
The IUPAC name of 2-hydroxy-4-methyl-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid (CID 61393794) is 2-hydroxy-4-methyl-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-methyl-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2-hydroxy-4-methyl-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid is Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)Nc1ccn[nH]1.
What is the InChIKey of 2-hydroxy-4-methyl-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid?
The InChIKey is SXDLVYUFMISISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5S/c1-6-4-8(15)7(11(16)17)5-9(6)20(18,19)14-10-2-3-12-13-10/h2-5,15H,1H3,(H,16,17)(H2,12,13,14).
What are the key properties of 2-hydroxy-4-methyl-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid?
2-hydroxy-4-methyl-5-(1H-pyrazol-5-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-5-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 61393794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).