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2'-(2,4-Difluorophenoxy)-4'-formylmethanesulfonanilide

HCID 10404154
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CS(=O)(=O)Nc1ccc(C=O)cc1Oc1ccc(F)cc1F
InChIKey
QXRFTNZBPHQQAR-UHFFFAOYSA-N
Molecular formula
C14H11F2NO4S
Average molar mass
327.3 g/mol

Names & identifiers

Preferred name
2'-(2,4-Difluorophenoxy)-4'-formylmethanesulfonanilide
IUPAC
N-[2-(2,4-difluorophenoxy)-4-formylphenyl]methanesulfonamide

Names & synonyms

SCHEMBL9656909QXRFTNZBPHQQAR-UHFFFAOYSA-N2'-(2,4-difluorophenoxy)-4'-formylmethanesulfonanilide

Database identifiers

PubChem CID
10404154
Nikkaji
J499.163J

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
80.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
22
Formal charge
0
Complexity
482

Related reactions

4 records
New reaction record
HRID 185692 reaction equation
HRID 185692As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1552977 reaction equation
HRID 1552977As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1607684 reaction equation
HRID 1607684As productuspto-grants-1989_09
HRID 1607687 reaction equation
HRID 1607687As reactantuspto-grants-1989_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes