Ethyl 5-bromo-4-methyl-1-[(4-methylphenyl)sulfonyl]-1H-pyrrole-3-carboxylate

HCID 66924908
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Basic information

Standard SMILES
CCOC(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c(Br)c1C
InChIKey
HOXGJRMMOZOCGU-UHFFFAOYSA-N
Molecular formula
C15H16BrNO4S
Average molar mass
386.3 g/mol
Monoisotopic mass
384.99834

Names & identifiers

Preferred name
Ethyl 5-bromo-4-methyl-1-[(4-methylphenyl)sulfonyl]-1H-pyrrole-3-carboxylate
IUPAC
ethyl 5-bromo-4-methyl-1-(4-methylphenyl)sulfonylpyrrole-3-carboxylate

Names & synonyms

SCHEMBL1156620HOXGJRMMOZOCGU-UHFFFAOYSA-NEthyl 5-bromo-4-methyl-1-[(4-methylphenyl)sulfonyl]-1H-pyrrole-3-carboxylate

Database identifiers

PubChem CID
66924908

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
73.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
22

Related reactions

4 records
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Compound notes

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