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3-chloro-N,N-bis(2,4-dimethoxybenzyl)-4-fluorobenzenesulfonamide

HCID 67227637
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(CN(Cc2ccc(OC)cc2OC)S(=O)(=O)c2ccc(F)c(Cl)c2)c(OC)c1
InChIKey
CSOQUVOCXWONPT-UHFFFAOYSA-N
Molecular formula
C24H25ClFNO6S
Average molar mass
510 g/mol

Names & identifiers

Preferred name
3-chloro-N,N-bis(2,4-dimethoxybenzyl)-4-fluorobenzenesulfonamide
IUPAC
3-chloro-N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-fluorobenzenesulfonamide

Names & synonyms

SCHEMBL1958800CSOQUVOCXWONPT-UHFFFAOYSA-N3-chloro-N,N-bis(2,4-dimethoxybenzyl)-4-fluorobenzenesulfonamide

Database identifiers

PubChem CID
67227637

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
82.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
10
Heavy atoms
34
Formal charge
0
Complexity
693

Related reactions

4 records
New reaction record
HRID 213020 reaction equation
HRID 213020As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1520697 reaction equation
HRID 1520697As productuspto-grants-2015_07
HRID 2045106 reaction equation
HRID 2045106As productuspto-grants-2013_11
HRID 2168444 reaction equation
HRID 2168444As productuspto-grants-2015_06

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes