Methyl 2-[(4-formyl-2-phenyl-1H-pyrrol-1-yl)sulfonyl]benzoate

HCID 86620753
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Basic information

Standard SMILES
COC(=O)c1ccccc1S(=O)(=O)n1cc(C=O)cc1-c1ccccc1
InChIKey
MDQHCRBUOVRHIU-UHFFFAOYSA-N
Molecular formula
C19H15NO5S
Average molar mass
369.4 g/mol
Monoisotopic mass
369.06709375

Names & identifiers

Preferred name
Methyl 2-[(4-formyl-2-phenyl-1H-pyrrol-1-yl)sulfonyl]benzoate
IUPAC
methyl 2-(4-formyl-2-phenylpyrrol-1-yl)sulfonylbenzoate

Names & synonyms

SCHEMBL1157001MDQHCRBUOVRHIU-UHFFFAOYSA-NMethyl 2-[(4-formyl-2-phenyl-1H-pyrrol-1-yl)sulfonyl]benzoate

Database identifiers

PubChem CID
86620753

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
90.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
26

Related reactions

4 records
New reaction record

Linked notes

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