2-(1H-Pyrrole-1-sulfonyl)benzoic acid
Basic information
- CAS
827024-12-4- Standard SMILES
O=C(O)c1ccccc1S(=O)(=O)n1cccc1- InChIKey
CLIGIHMHVWXQPQ-UHFFFAOYSA-N- Molecular formula
- C11H9NO4S
- Average molar mass
- 251.26 g/mol
- Monoisotopic mass
- 251.02522894
Names & identifiers
- Preferred name
- 2-(1H-Pyrrole-1-sulfonyl)benzoic acid
- IUPAC
- 2-pyrrol-1-ylsulfonylbenzoic acid
Names & synonyms
827024-12-42-((1H-Pyrrol-1-yl)sulfonyl)benzoic acid2-(1H-Pyrrole-1-sulfonyl)benzoic acidDTXSID10837167
Database identifiers
- CAS
827024-12-4- PubChem CID
- 71417837
- DTXSID
DTXSID10837167- Nikkaji
- J2.119.245G
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 381
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Compound notes
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