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

HCID 20152006
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Basic information

Standard SMILES
O=[N+]([O-])c1cc(Br)c(NS(=O)(=O)c2ccccc2)cc1Br
InChIKey
HDIIQSRTURWAPB-UHFFFAOYSA-N
Molecular formula
C12H8Br2N2O4S
Average molar mass
436.08 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL10610753HDIIQSRTURWAPB-UHFFFAOYSA-N2,5-dibromo-4-nitro-N-benzenesulphonylaniline

Database identifiers

PubChem CID
20152006

Properties

Computed structural properties

XLogP
3.6
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

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Related reactions

4 records
New reaction record
HRID 4232 reaction equation
HRID 4232As productuspto-grants-1988_02
HRID 4233 reaction equation
HRID 4233As reactantuspto-grants-1988_02
HRID 154643 reaction equation
HRID 154643As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 663529 reaction equation
HRID 663529As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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