Basic information
- CAS
827024-07-7- Standard SMILES
Cc1ccc(S(=O)(=O)n2c(C)ccc2C(=O)c2ccccc2)cc1- InChIKey
ZCDDNPPMDNVXPK-UHFFFAOYSA-N- Molecular formula
- C19H17NO3S
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.09291458
Names & identifiers
- Preferred name
- [5-Methyl-1-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl](phenyl)methanone
- IUPAC
- [5-methyl-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-phenylmethanone
Names & synonyms
827024-07-7DTXSID00837171[5-Methyl-1-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl](phenyl)methanone
Database identifiers
- CAS
827024-07-7- PubChem CID
- 71417841
- DTXSID
DTXSID00837171- Nikkaji
- J2.119.240F
Properties
Computed structural properties
- XLogP
- 4.3
- 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
Loading…