ethyl {N-[(5-bromopyridin-3-yl)carbonyl]-S-phenylsulfonimidoyl}acetate

HCID 76585243
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Basic information

Standard SMILES
CCOC(=O)CS(=O)(=NC(=O)c1cncc(Br)c1)c1ccccc1
InChIKey
JBOWTLFRSRBTAE-UHFFFAOYSA-N
Molecular formula
C16H15BrN2O4S
Average molar mass
411.3 g/mol

Names & identifiers

Preferred name
ethyl {N-[(5-bromopyridin-3-yl)carbonyl]-S-phenylsulfonimidoyl}acetate
IUPAC
ethyl 2-[N-(5-bromopyridine-3-carbonyl)-S-phenylsulfonimidoyl]acetate

Names & synonyms

JBOWTLFRSRBTAE-UHFFFAOYSA-Nethyl {N-[(5-bromopyridin-3-yl)carbonyl]-S-phenylsulfonimidoyl}acetate

Database identifiers

PubChem CID
76585243

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
94.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
24

Related reactions

4 records
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Compound notes

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