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N-[4-chloro-5-[[(chloromethyl)sulfonyl]amino]-2-fluorophenyl]acetamide

HCID 10870764
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)Nc1cc(NS(=O)(=O)CCl)c(Cl)cc1F
InChIKey
LIEULCHNRSDYPU-UHFFFAOYSA-N
Molecular formula
C9H9Cl2FN2O3S
Average molar mass
315.15 g/mol

Names & identifiers

Preferred name
N-[4-chloro-5-[[(chloromethyl)sulfonyl]amino]-2-fluorophenyl]acetamide
IUPAC
N-[4-chloro-5-(chloromethylsulfonylamino)-2-fluorophenyl]acetamide

Names & synonyms

SCHEMBL6197105LIEULCHNRSDYPU-UHFFFAOYSA-NN-[4-chloro-5-[[(chloromethyl)sulfonyl]amino]-2-fluorophenyl]acetamide

Database identifiers

PubChem CID
10870764

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
83.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
401

Related reactions

7 records
New reaction record
HRID 121555 reaction equation
HRID 121555As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 306631 reaction equation
HRID 306631As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 432949 reaction equation
HRID 432949As productuspto-grants-2003_12
HRID 432950 reaction equation
HRID 432950As reactantuspto-grants-2003_12
HRID 1107249 reaction equation
HRID 1107249As productuspto-grants-2000_05
HRID 1934830 reaction equation
HRID 1934830As productuspto-grants-2002_05
HRID 1934831 reaction equation
HRID 1934831As reactantuspto-grants-2002_05

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes