Basic information
- CAS
827023-99-4- Standard SMILES
Cc1ccc(S(=O)(=O)n2cccc2-c2ccc3ccccc3c2)cc1- InChIKey
SHZXYGRJAWUYAA-UHFFFAOYSA-N- Molecular formula
- C21H17NO2S
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.09799996
Names & identifiers
- Preferred name
- 1-(4-Methylbenzene-1-sulfonyl)-2-(naphthalen-2-yl)-1H-pyrrole
- IUPAC
- 1-(4-methylphenyl)sulfonyl-2-naphthalen-2-ylpyrrole
Names & synonyms
827023-99-42-(Naphthalen-2-yl)-1-tosyl-1H-pyrroleDTXSID008371761-(4-Methylbenzene-1-sulfonyl)-2-(naphthalen-2-yl)-1H-pyrrole
Database identifiers
- CAS
827023-99-4- PubChem CID
- 71417846
- DTXSID
DTXSID00837176- Nikkaji
- J2.119.231G
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 47.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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