[1-(4-Methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl](phenyl)methanone
Basic information
- CAS
827024-03-3- Standard SMILES
Cc1ccc(S(=O)(=O)n2cccc2C(=O)c2ccccc2)cc1- InChIKey
KLCFTQKXTMMGNM-UHFFFAOYSA-N- Molecular formula
- C18H15NO3S
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.07726451
Names & identifiers
- Preferred name
- [1-(4-Methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl](phenyl)methanone
- IUPAC
- [1-(4-methylphenyl)sulfonylpyrrol-2-yl]-phenylmethanone
Names & synonyms
827024-03-3Phenyl(1-tosyl-1H-pyrrol-2-yl)methanoneCHEMBL5558777DTXSID20837173[1-(4-Methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl](phenyl)methanoneBDBM50637722
Database identifiers
- CAS
827024-03-3- PubChem CID
- 71417843
- DTXSID
DTXSID20837173- ChEMBL
CHEMBL5558777- Nikkaji
- J2.119.235J
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
- 23
- Formal charge
- 0
- Complexity
- 511
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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