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2-Chloro-3'-sulfamoylacetophenone

HCID 22007172
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
NS(=O)(=O)c1cccc(C(=O)CCl)c1
InChIKey
BYRBYIGGQSDHMO-UHFFFAOYSA-N
Molecular formula
C8H8ClNO3S
Average molar mass
233.67 g/mol

Names & identifiers

Preferred name
2-Chloro-3'-sulfamoylacetophenone
IUPAC
3-(2-chloroacetyl)benzenesulfonamide

Names & synonyms

SCHEMBL7914241BYRBYIGGQSDHMO-UHFFFAOYSA-N2-Chloro-3'-sulfamoylacetophenone

Database identifiers

PubChem CID
22007172

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
85.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
14
Formal charge
0
Complexity
309

Related reactions

7 records
New reaction record
HRID 461164 reaction equation
HRID 461164As productuspto-grants-1977_12
HRID 461165 reaction equation
HRID 461165As reactantuspto-grants-1977_12
HRID 461166 reaction equation
HRID 461166As reactantuspto-grants-1977_12
HRID 1146961 reaction equation
HRID 1146961As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1703893 reaction equation
HRID 1703893As productuspto-grants-1978_11
HRID 1703894 reaction equation
HRID 1703894As reactantuspto-grants-1978_11
HRID 1703895 reaction equation
HRID 1703895As reactantuspto-grants-1978_11

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes