2-Chloro-4-fluoro-5-[(isopropylamino)sulfonyl]benzoic acid

HCID 58728656
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Basic information

Standard SMILES
CC(C)NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1F
InChIKey
CIPOAXLRAUVXDH-UHFFFAOYSA-N
Molecular formula
C10H11ClFNO4S
Average molar mass
295.72 g/mol
Monoisotopic mass
295.0081349

Names & identifiers

Preferred name
2-Chloro-4-fluoro-5-[(isopropylamino)sulfonyl]benzoic acid
IUPAC
2-chloro-4-fluoro-5-(propan-2-ylsulfamoyl)benzoic acid

Names & synonyms

SCHEMBL3531632CIPOAXLRAUVXDH-UHFFFAOYSA-N2-chloro-4-fluoro-5-[(isopropylamino)sulfonyl]benzoic acid

Database identifiers

PubChem CID
58728656

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
91.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
18

Related reactions

4 records
New reaction record

Compound notes

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