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

C10H9N3O5S — CID 61393868

IUPAC2-hydroxy-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccn[nH]2)ccc1O
InChIInChI=1S/C10H9N3O5S/c14-8-2-1-6(5-7(8)10(15)16)19(17,18)13-9-3-4-11-12-9/h1-5,14H,(H,15,16)(H2,11,12,13)
InChIKeyKKMSMZJUZFZJNQ-UHFFFAOYSA-N
MW283.27 g/mol
LogP0.61
Rot. Bonds4

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

2-hydroxy-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid (PubChem CID 61393868) has the molecular formula C10H9N3O5S and a molecular weight of 283.27 g/mol. Its IUPAC name is 2-hydroxy-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid
PubChem CID61393868
Molecular FormulaC10H9N3O5S
Molecular Weight283.27 g/mol
Exact Mass283.03
IUPAC Name2-hydroxy-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccn[nH]2)ccc1O
InChIInChI=1S/C10H9N3O5S/c14-8-2-1-6(5-7(8)10(15)16)19(17,18)13-9-3-4-11-12-9/h1-5,14H,(H,15,16)(H2,11,12,13)
InChIKeyKKMSMZJUZFZJNQ-UHFFFAOYSA-N
XLogP0.61
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 50.61
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-ylsulfamoyl)benzoic acid?
The IUPAC name of 2-hydroxy-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid (CID 61393868) is 2-hydroxy-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccn[nH]2)ccc1O.
What is the InChIKey of 2-hydroxy-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid?
The InChIKey is KKMSMZJUZFZJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O5S/c14-8-2-1-6(5-7(8)10(15)16)19(17,18)13-9-3-4-11-12-9/h1-5,14H,(H,15,16)(H2,11,12,13).
What are the key properties of 2-hydroxy-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid?
2-hydroxy-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid has a molecular weight of 283.27 g/mol, XLogP of 0.61, 4 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-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 61393868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).