1-[1-(4-Methylbenzene-1-sulfonyl)-5-(naphthalen-2-yl)-1H-pyrrol-2-yl]ethan-1-one
Basic information
- CAS
827024-11-3- Standard SMILES
CC(=O)c1ccc(-c2ccc3ccccc3c2)n1S(=O)(=O)c1ccc(C)cc1- InChIKey
XFGGTBQSMSAOAX-UHFFFAOYSA-N- Molecular formula
- C23H19NO3S
- Average molar mass
- 389.5 g/mol
- Monoisotopic mass
- 389.10856464
Names & identifiers
- Preferred name
- 1-[1-(4-Methylbenzene-1-sulfonyl)-5-(naphthalen-2-yl)-1H-pyrrol-2-yl]ethan-1-one
- IUPAC
- 1-[1-(4-methylphenyl)sulfonyl-5-naphthalen-2-ylpyrrol-2-yl]ethanone
Names & synonyms
827024-11-31-(5-(Naphthalen-2-yl)-1-tosyl-1H-pyrrol-2-yl)ethan-1-oneDTXSID708371681-[1-(4-Methylbenzene-1-sulfonyl)-5-(naphthalen-2-yl)-1H-pyrrol-2-yl]ethan-1-one
Database identifiers
- CAS
827024-11-3- PubChem CID
- 71417838
- DTXSID
DTXSID70837168- Nikkaji
- J2.119.244I
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 662
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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