Basic information
- CAS
827024-01-1- Standard SMILES
Cc1ccc(S(=O)(=O)n2cccc2C(=O)C(C)(C)C)cc1- InChIKey
ABTOWUHEALSJPA-UHFFFAOYSA-N- Molecular formula
- C16H19NO3S
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.10856464
Names & identifiers
- Preferred name
- 2,2-Dimethyl-1-[1-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]propan-1-one
- IUPAC
- 2,2-dimethyl-1-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]propan-1-one
Names & synonyms
827024-01-12,2-Dimethyl-1-(1-tosyl-1H-pyrrol-2-yl)propan-1-oneSCHEMBL26054490DTXSID808371742,2-Dimethyl-1-[1-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]propan-1-one
Database identifiers
- CAS
827024-01-1- PubChem CID
- 71417844
- DTXSID
DTXSID80837174- Nikkaji
- J2.119.233C
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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