2-hydroxy-5-(methylsulfamoyl)benzoic acid

C8H9NO5S — CID 14490061

IUPAC2-hydroxy-5-(methylsulfamoyl)benzoic acid
SMILESCNS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C8H9NO5S/c1-9-15(13,14)5-2-3-7(10)6(4-5)8(11)12/h2-4,9-10H,1H3,(H,11,12)
InChIKeyKJXSNHLSCOWCQZ-UHFFFAOYSA-N
MW231.23 g/mol
LogP-0.00
Rot. Bonds3

About 2-hydroxy-5-(methylsulfamoyl)benzoic acid

2-hydroxy-5-(methylsulfamoyl)benzoic acid (PubChem CID 14490061) has the molecular formula C8H9NO5S and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-hydroxy-5-(methylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(methylsulfamoyl)benzoic acid
PubChem CID14490061
Molecular FormulaC8H9NO5S
Molecular Weight231.23 g/mol
Exact Mass231.02
IUPAC Name2-hydroxy-5-(methylsulfamoyl)benzoic acid
SMILESCNS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C8H9NO5S/c1-9-15(13,14)5-2-3-7(10)6(4-5)8(11)12/h2-4,9-10H,1H3,(H,11,12)
InChIKeyKJXSNHLSCOWCQZ-UHFFFAOYSA-N
XLogP-0.00
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(methylsulfamoyl)benzoic acid?
The IUPAC name of 2-hydroxy-5-(methylsulfamoyl)benzoic acid (CID 14490061) is 2-hydroxy-5-(methylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(methylsulfamoyl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(methylsulfamoyl)benzoic acid is CNS(=O)(=O)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-(methylsulfamoyl)benzoic acid?
The InChIKey is KJXSNHLSCOWCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO5S/c1-9-15(13,14)5-2-3-7(10)6(4-5)8(11)12/h2-4,9-10H,1H3,(H,11,12).
What are the key properties of 2-hydroxy-5-(methylsulfamoyl)benzoic acid?
2-hydroxy-5-(methylsulfamoyl)benzoic acid has a molecular weight of 231.23 g/mol, XLogP of -0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(methylsulfamoyl)benzoic acid is sourced from PubChem (CID 14490061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).