4-sulfamoylpyridine-2-carboxylic acid

C6H6N2O4S — CID 57336588

IUPAC4-sulfamoylpyridine-2-carboxylic acid
SMILESNS(=O)(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C6H6N2O4S/c7-13(11,12)4-1-2-8-5(3-4)6(9)10/h1-3H,(H,9,10)(H2,7,11,12)
InChIKeyIGHCPTQYPZLSJG-UHFFFAOYSA-N
MW202.19 g/mol
LogP-0.57
Rot. Bonds2

About 4-sulfamoylpyridine-2-carboxylic acid

4-sulfamoylpyridine-2-carboxylic acid (PubChem CID 57336588) has the molecular formula C6H6N2O4S and a molecular weight of 202.19 g/mol. Its IUPAC name is 4-sulfamoylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-sulfamoylpyridine-2-carboxylic acid
PubChem CID57336588
Molecular FormulaC6H6N2O4S
Molecular Weight202.19 g/mol
Exact Mass202.00
IUPAC Name4-sulfamoylpyridine-2-carboxylic acid
SMILESNS(=O)(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C6H6N2O4S/c7-13(11,12)4-1-2-8-5(3-4)6(9)10/h1-3H,(H,9,10)(H2,7,11,12)
InChIKeyIGHCPTQYPZLSJG-UHFFFAOYSA-N
XLogP-0.57
TPSA110.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-sulfamoylpyridine-2-carboxylic acid?
The IUPAC name of 4-sulfamoylpyridine-2-carboxylic acid (CID 57336588) is 4-sulfamoylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-sulfamoylpyridine-2-carboxylic acid?
The canonical SMILES for 4-sulfamoylpyridine-2-carboxylic acid is NS(=O)(=O)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-sulfamoylpyridine-2-carboxylic acid?
The InChIKey is IGHCPTQYPZLSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O4S/c7-13(11,12)4-1-2-8-5(3-4)6(9)10/h1-3H,(H,9,10)(H2,7,11,12).
What are the key properties of 4-sulfamoylpyridine-2-carboxylic acid?
4-sulfamoylpyridine-2-carboxylic acid has a molecular weight of 202.19 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfamoylpyridine-2-carboxylic acid is sourced from PubChem (CID 57336588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).