Basic information
- CAS
827024-00-0- Standard SMILES
CCCCC(=O)c1cccn1S(=O)(=O)c1ccc(C)cc1- InChIKey
OTWKSXIUQNZQQS-UHFFFAOYSA-N- Molecular formula
- C16H19NO3S
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.10856464
Names & identifiers
- Preferred name
- 1-[1-(4-Methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]pentan-1-one
- IUPAC
- 1-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]pentan-1-one
Names & synonyms
827024-00-0DTXSID408371751-[1-(4-Methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]pentan-1-one
Database identifiers
- CAS
827024-00-0- PubChem CID
- 71417845
- DTXSID
DTXSID40837175- Nikkaji
- J2.119.232E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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