3-sulfamoylthiophene-2-carboxylic acid

C5H5NO4S2 — CID 3042286

IUPAC3-sulfamoylthiophene-2-carboxylic acid
SMILESNS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)
InChIKeyNRAVSUNXRBRPRE-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.09
Rot. Bonds2

About 3-sulfamoylthiophene-2-carboxylic acid

3-sulfamoylthiophene-2-carboxylic acid (PubChem CID 3042286) has the molecular formula C5H5NO4S2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-sulfamoylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-sulfamoylthiophene-2-carboxylic acid
PubChem CID3042286
Molecular FormulaC5H5NO4S2
Molecular Weight207.23 g/mol
Exact Mass206.97
IUPAC Name3-sulfamoylthiophene-2-carboxylic acid
SMILESNS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)
InChIKeyNRAVSUNXRBRPRE-UHFFFAOYSA-N
XLogP0.09
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-sulfamoylthiophene-2-carboxylic acid?
The IUPAC name of 3-sulfamoylthiophene-2-carboxylic acid (CID 3042286) is 3-sulfamoylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-sulfamoylthiophene-2-carboxylic acid?
The canonical SMILES for 3-sulfamoylthiophene-2-carboxylic acid is NS(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-sulfamoylthiophene-2-carboxylic acid?
The InChIKey is NRAVSUNXRBRPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10).
What are the key properties of 3-sulfamoylthiophene-2-carboxylic acid?
3-sulfamoylthiophene-2-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfamoylthiophene-2-carboxylic acid is sourced from PubChem (CID 3042286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).