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N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide

HCID 711089
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(F)cc1
InChIKey
KFYLTOOSQRSNRF-UHFFFAOYSA-N
Molecular formula
C13H11ClFNO2S
Average molar mass
299.75 g/mol

Names & identifiers

Preferred name
N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
IUPAC
N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide

Names & synonyms

N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide7454-82-2KFYLTOOSQRSNRF-UHFFFAOYSA-NSCHEMBL2175966STK020822AKOS001074100ST010934AB00082014-01AO-548/11164762Z45639929(3-chloro-2-methylphenyl)[(4-fluorophenyl)sulfonyl]amineN-(3-chloro-2-methylphenyl)-4-fluorobenzene-1-sulfonamide

Database identifiers

PubChem CID
711089

Properties

Computed structural propertiesFilling in

XLogP
3.4
Topological polar surface area
54.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Formal charge
0
Complexity
390

Related reactions

2 records
New reaction record
HRID 1009482 reaction equation
HRID 1009482As reactantuspto-grants-2011_07
HRID 1536334 reaction equation
HRID 1536334As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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