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

C11H11N3O5S — CID 61286273

IUPAC2-hydroxy-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2ccn[nH]2)ccc1O
InChIInChI=1S/C11H11N3O5S/c15-10-2-1-8(5-9(10)11(16)17)20(18,19)13-6-7-3-4-12-14-7/h1-5,13,15H,6H2,(H,12,14)(H,16,17)
InChIKeyLLYBIEXVIHSGBC-UHFFFAOYSA-N
MW297.29 g/mol
LogP0.29
Rot. Bonds5

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

2-hydroxy-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid (PubChem CID 61286273) has the molecular formula C11H11N3O5S and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-hydroxy-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid
PubChem CID61286273
Molecular FormulaC11H11N3O5S
Molecular Weight297.29 g/mol
Exact Mass297.04
IUPAC Name2-hydroxy-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2ccn[nH]2)ccc1O
InChIInChI=1S/C11H11N3O5S/c15-10-2-1-8(5-9(10)11(16)17)20(18,19)13-6-7-3-4-12-14-7/h1-5,13,15H,6H2,(H,12,14)(H,16,17)
InChIKeyLLYBIEXVIHSGBC-UHFFFAOYSA-N
XLogP0.29
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid?
The IUPAC name of 2-hydroxy-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid (CID 61286273) is 2-hydroxy-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid is O=C(O)c1cc(S(=O)(=O)NCc2ccn[nH]2)ccc1O.
What is the InChIKey of 2-hydroxy-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid?
The InChIKey is LLYBIEXVIHSGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5S/c15-10-2-1-8(5-9(10)11(16)17)20(18,19)13-6-7-3-4-12-14-7/h1-5,13,15H,6H2,(H,12,14)(H,16,17).
What are the key properties of 2-hydroxy-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid?
2-hydroxy-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid has a molecular weight of 297.29 g/mol, XLogP of 0.29, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid is sourced from PubChem (CID 61286273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).