2-hydroxy-5-sulfamoylbenzoic acid

C7H7NO5S — CID 7731270

IUPAC2-hydroxy-5-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C7H7NO5S/c8-14(12,13)4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)(H2,8,12,13)
InChIKeyWKQMYKUTVQZUBG-UHFFFAOYSA-N
MW217.20 g/mol
LogP-0.26
Rot. Bonds2

About 2-hydroxy-5-sulfamoylbenzoic acid

2-hydroxy-5-sulfamoylbenzoic acid (PubChem CID 7731270) has the molecular formula C7H7NO5S and a molecular weight of 217.20 g/mol. Its IUPAC name is 2-hydroxy-5-sulfamoylbenzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-sulfamoylbenzoic acid
PubChem CID7731270
Molecular FormulaC7H7NO5S
Molecular Weight217.20 g/mol
Exact Mass217.00
IUPAC Name2-hydroxy-5-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C7H7NO5S/c8-14(12,13)4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)(H2,8,12,13)
InChIKeyWKQMYKUTVQZUBG-UHFFFAOYSA-N
XLogP-0.26
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-sulfamoylbenzoic acid?
The IUPAC name of 2-hydroxy-5-sulfamoylbenzoic acid (CID 7731270) is 2-hydroxy-5-sulfamoylbenzoic acid.
What is the SMILES notation for 2-hydroxy-5-sulfamoylbenzoic acid?
The canonical SMILES for 2-hydroxy-5-sulfamoylbenzoic acid is NS(=O)(=O)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-sulfamoylbenzoic acid?
The InChIKey is WKQMYKUTVQZUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO5S/c8-14(12,13)4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)(H2,8,12,13).
What are the key properties of 2-hydroxy-5-sulfamoylbenzoic acid?
2-hydroxy-5-sulfamoylbenzoic acid has a molecular weight of 217.20 g/mol, XLogP of -0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-sulfamoylbenzoic acid is sourced from PubChem (CID 7731270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).