1-[5-(4-Methoxyphenyl)-1-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]ethan-1-one
Basic information
- CAS
827024-10-2- Standard SMILES
COc1ccc(-c2ccc(C(C)=O)n2S(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
BFAPFMXCZRHVPC-UHFFFAOYSA-N- Molecular formula
- C20H19NO4S
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.10347926
Names & identifiers
- Preferred name
- 1-[5-(4-Methoxyphenyl)-1-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]ethan-1-one
- IUPAC
- 1-[5-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrol-2-yl]ethanone
Names & synonyms
827024-10-21-(5-(4-Methoxyphenyl)-1-tosyl-1H-pyrrol-2-yl)ethan-1-oneDTXSID308371691-[5-(4-Methoxyphenyl)-1-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]ethan-1-one
Database identifiers
- CAS
827024-10-2- PubChem CID
- 71417839
- DTXSID
DTXSID30837169- Nikkaji
- J2.119.243K
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 583
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Compound notes
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