Basic information
- CAS
827024-08-8- Standard SMILES
CC(=O)c1ccc(-c2ccccc2)n1S(=O)(=O)c1ccc(C)cc1- InChIKey
VBLJBXRZMJSCOF-UHFFFAOYSA-N- Molecular formula
- C19H17NO3S
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.09291458
Names & identifiers
- Preferred name
- 1-[1-(4-Methylbenzene-1-sulfonyl)-5-phenyl-1H-pyrrol-2-yl]ethan-1-one
- IUPAC
- 1-[1-(4-methylphenyl)sulfonyl-5-phenylpyrrol-2-yl]ethanone
Names & synonyms
827024-08-81-(5-Phenyl-1-tosyl-1H-pyrrol-2-yl)ethan-1-oneDTXSID408371701-[1-(4-Methylbenzene-1-sulfonyl)-5-phenyl-1H-pyrrol-2-yl]ethan-1-one
Database identifiers
- CAS
827024-08-8- PubChem CID
- 71417840
- DTXSID
DTXSID40837170- Nikkaji
- J2.119.241D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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