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4-acetyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

HCID 3737670
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIKey
CVEFUOIJWLQBNT-UHFFFAOYSA-N
Molecular formula
C10H10F3NO3S
Average molar mass
281.25 g/mol

Names & identifiers

Preferred name
4-acetyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
IUPAC
4-acetyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

Names & synonyms

4-acetyl-N-(2,2,2-trifluoroethyl)benzenesulfonamideSCHEMBL5565533CVEFUOIJWLQBNT-UHFFFAOYSA-NAKOS008950496AB00017870-01

Database identifiers

PubChem CID
3737670

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
71.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
392

Related reactions

1 records
New reaction record
HRID 1139949 reaction equation
HRID 1139949As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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