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2,5-dichloro-4-nitro-N-benzenesulphonylaniline

HCID 20152001
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=[N+]([O-])c1cc(Cl)c(NS(=O)(=O)c2ccccc2)cc1Cl
InChIKey
CZWAKKXKPYAFFV-UHFFFAOYSA-N
Molecular formula
C12H8Cl2N2O4S
Average molar mass
347.2 g/mol

Names & identifiers

Preferred name
2,5-dichloro-4-nitro-N-benzenesulphonylaniline
IUPAC
N-(2,5-dichloro-4-nitrophenyl)benzenesulfonamide

Names & synonyms

SCHEMBL10615498CZWAKKXKPYAFFV-UHFFFAOYSA-N2,5-dichloro-4-nitro-N-benzenesulphonylaniline

Database identifiers

PubChem CID
20152001

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
100 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
21
Formal charge
0
Complexity
471

Related reactions

2 records
New reaction record
HRID 4231 reaction equation
HRID 4231As reactantuspto-grants-1988_02
HRID 210023 reaction equation
HRID 210023As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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