4-trifluoroacetoxy-1,2-benzisothiazol-3(2H)-one-1,1-dioxide

HCID 54372980
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Basic information

Standard SMILES
O=C1NS(=O)(=O)c2cccc(OC(=O)C(F)(F)F)c21
InChIKey
UUNFMHLJTMKUSD-UHFFFAOYSA-N
Molecular formula
C9H4F3NO5S
Average molar mass
295.19 g/mol

Names & identifiers

Preferred name
4-trifluoroacetoxy-1,2-benzisothiazol-3(2H)-one-1,1-dioxide
IUPAC
(1,1,3-trioxo-1,2-benzothiazol-4-yl) 2,2,2-trifluoroacetate

Names & synonyms

4-trifluoroacetoxy-1,2-benzisothiazol-3(2H)-one-1,1-dioxideSCHEMBL10849539

Database identifiers

PubChem CID
54372980

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
97.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
2
Heavy atoms
19

Related reactions

1 records
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Compound notes

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