Methyl 10-[1-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]decanoate
Basic information
- CAS
827024-16-8- Standard SMILES
COC(=O)CCCCCCCCCc1cccn1S(=O)(=O)c1ccc(C)cc1- InChIKey
IKMNURYJNKAFJA-UHFFFAOYSA-N- Molecular formula
- C22H31NO4S
- Average molar mass
- 405.6 g/mol
- Monoisotopic mass
- 405.19737964
Names & identifiers
- Preferred name
- Methyl 10-[1-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]decanoate
- IUPAC
- methyl 10-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]decanoate
Names & synonyms
827024-16-8DTXSID50837166Methyl 10-[1-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]decanoate
Database identifiers
- CAS
827024-16-8- PubChem CID
- 71417836
- DTXSID
DTXSID50837166
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 549
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Compound notes
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