2-(hydroxysulfamoyl)benzoic acid

C7H7NO5S — CID 23645548

IUPAC2-(hydroxysulfamoyl)benzoic acid
SMILESO=C(O)c1ccccc1S(=O)(=O)NO
InChIInChI=1S/C7H7NO5S/c9-7(10)5-3-1-2-4-6(5)14(12,13)8-11/h1-4,8,11H,(H,9,10)
InChIKeyUSQRZPGPLTUIHD-UHFFFAOYSA-N
MW217.20 g/mol
LogP0.05
Rot. Bonds3

About 2-(hydroxysulfamoyl)benzoic acid

2-(hydroxysulfamoyl)benzoic acid (PubChem CID 23645548) has the molecular formula C7H7NO5S and a molecular weight of 217.20 g/mol. Its IUPAC name is 2-(hydroxysulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-(hydroxysulfamoyl)benzoic acid
PubChem CID23645548
Molecular FormulaC7H7NO5S
Molecular Weight217.20 g/mol
Exact Mass217.00
IUPAC Name2-(hydroxysulfamoyl)benzoic acid
SMILESO=C(O)c1ccccc1S(=O)(=O)NO
InChIInChI=1S/C7H7NO5S/c9-7(10)5-3-1-2-4-6(5)14(12,13)8-11/h1-4,8,11H,(H,9,10)
InChIKeyUSQRZPGPLTUIHD-UHFFFAOYSA-N
XLogP0.05
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxysulfamoyl)benzoic acid?
The IUPAC name of 2-(hydroxysulfamoyl)benzoic acid (CID 23645548) is 2-(hydroxysulfamoyl)benzoic acid.
What is the SMILES notation for 2-(hydroxysulfamoyl)benzoic acid?
The canonical SMILES for 2-(hydroxysulfamoyl)benzoic acid is O=C(O)c1ccccc1S(=O)(=O)NO.
What is the InChIKey of 2-(hydroxysulfamoyl)benzoic acid?
The InChIKey is USQRZPGPLTUIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO5S/c9-7(10)5-3-1-2-4-6(5)14(12,13)8-11/h1-4,8,11H,(H,9,10).
What are the key properties of 2-(hydroxysulfamoyl)benzoic acid?
2-(hydroxysulfamoyl)benzoic acid has a molecular weight of 217.20 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxysulfamoyl)benzoic acid is sourced from PubChem (CID 23645548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).