2-hydroxy-5-(pyridin-4-ylsulfamoyl)benzoic acid

C12H10N2O5S — CID 4847495

IUPAC2-hydroxy-5-(pyridin-4-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccncc2)ccc1O
InChIInChI=1S/C12H10N2O5S/c15-11-2-1-9(7-10(11)12(16)17)20(18,19)14-8-3-5-13-6-4-8/h1-7,15H,(H,13,14)(H,16,17)
InChIKeyORCTZVOWJREDGI-UHFFFAOYSA-N
MW294.29 g/mol
LogP1.29
Rot. Bonds4

About 2-hydroxy-5-(pyridin-4-ylsulfamoyl)benzoic acid

2-hydroxy-5-(pyridin-4-ylsulfamoyl)benzoic acid (PubChem CID 4847495) has the molecular formula C12H10N2O5S and a molecular weight of 294.29 g/mol. Its IUPAC name is 2-hydroxy-5-(pyridin-4-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(pyridin-4-ylsulfamoyl)benzoic acid
PubChem CID4847495
Molecular FormulaC12H10N2O5S
Molecular Weight294.29 g/mol
Exact Mass294.03
IUPAC Name2-hydroxy-5-(pyridin-4-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccncc2)ccc1O
InChIInChI=1S/C12H10N2O5S/c15-11-2-1-9(7-10(11)12(16)17)20(18,19)14-8-3-5-13-6-4-8/h1-7,15H,(H,13,14)(H,16,17)
InChIKeyORCTZVOWJREDGI-UHFFFAOYSA-N
XLogP1.29
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(pyridin-4-ylsulfamoyl)benzoic acid?
The IUPAC name of 2-hydroxy-5-(pyridin-4-ylsulfamoyl)benzoic acid (CID 4847495) is 2-hydroxy-5-(pyridin-4-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(pyridin-4-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(pyridin-4-ylsulfamoyl)benzoic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccncc2)ccc1O.
What is the InChIKey of 2-hydroxy-5-(pyridin-4-ylsulfamoyl)benzoic acid?
The InChIKey is ORCTZVOWJREDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5S/c15-11-2-1-9(7-10(11)12(16)17)20(18,19)14-8-3-5-13-6-4-8/h1-7,15H,(H,13,14)(H,16,17).
What are the key properties of 2-hydroxy-5-(pyridin-4-ylsulfamoyl)benzoic acid?
2-hydroxy-5-(pyridin-4-ylsulfamoyl)benzoic acid has a molecular weight of 294.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(pyridin-4-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 4847495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).