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4-Benzylamino-6-(1,2,2-trichlorovinyl)-1,3-benzenedi-sulfonamide

HCID 21392422
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
NS(=O)(=O)c1cc(S(N)(=O)=O)c(C(Cl)=C(Cl)Cl)cc1NCc1ccccc1
InChIKey
BNBQMMRNNFDVLV-UHFFFAOYSA-N
Molecular formula
C15H14Cl3N3O4S2
Average molar mass
470.8 g/mol

Names & identifiers

Preferred name
4-Benzylamino-6-(1,2,2-trichlorovinyl)-1,3-benzenedi-sulfonamide
IUPAC
4-(benzylamino)-6-(1,2,2-trichloroethenyl)benzene-1,3-disulfonamide

Names & synonyms

SCHEMBL11708406BNBQMMRNNFDVLV-UHFFFAOYSA-N4-Benzylamino-6-(1,2,2-trichlorovinyl)-1,3-benzenedi-sulfonamide

Database identifiers

PubChem CID
21392422

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
149 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
27
Formal charge
0
Complexity
752

Related reactions

2 records
New reaction record
HRID 86263 reaction equation
HRID 86263As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 461768 reaction equation
HRID 461768As productuspto-grants-1977_12

Compound notes

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