5-(2-Methylpyrrol-1-yl)sulfonylthiophene-2-carboxylic acid
Basic information
- CAS
376654-05-6- Standard SMILES
Cc1cccn1S(=O)(=O)c1ccc(C(=O)O)s1- InChIKey
OPQJVTORHNUBEL-UHFFFAOYSA-N- Molecular formula
- C10H9NO4S2
- Average molar mass
- 271.3 g/mol
- Monoisotopic mass
- 270.99730012
Names & identifiers
- Preferred name
- 5-(2-Methylpyrrol-1-yl)sulfonylthiophene-2-carboxylic acid
- IUPAC
- 5-(2-methylpyrrol-1-yl)sulfonylthiophene-2-carboxylic acid
Names & synonyms
376654-05-6SCHEMBL5872230DTXSID1011716615-(2-Methyl-1H-pyrrole-1-sulfonyl)thiophene-2-carboxylic acid5-[(2-Methyl-1H-pyrrol-1-yl)sulfonyl]-2-thiophenecarboxylic acid
Database identifiers
- CAS
376654-05-6- PubChem CID
- 22016845
- DTXSID
DTXSID101171661
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 403
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Compound notes
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