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3-(N,N-Dimethylsulfamoyl)-4-methoxybenzyl chloride

HCID 21976867
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(CCl)cc1S(=O)(=O)N(C)C
InChIKey
WQDMPLQMZWUBQE-UHFFFAOYSA-N
Molecular formula
C10H14ClNO3S
Average molar mass
263.74 g/mol

Names & identifiers

Preferred name
3-(N,N-Dimethylsulfamoyl)-4-methoxybenzyl chloride
IUPAC
5-(chloromethyl)-2-methoxy-N,N-dimethylbenzenesulfonamide

Names & synonyms

SCHEMBL3237801WQDMPLQMZWUBQE-UHFFFAOYSA-NAKOS0150856073-(N,N-Dimethylsulfamoyl)-4-methoxybenzyl chloride

Database identifiers

PubChem CID
21976867

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
55 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
Formal charge
0
Complexity
313

Related reactions

3 records
New reaction record
HRID 19958 reaction equation
HRID 19958As productuspto-grants-2010_06
HRID 104515 reaction equation
HRID 104515As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 901194 reaction equation
HRID 901194As productuspto-grants-2008_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes