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N,N-diethyl-1,2-benzenedisulfonamide

HCID 12819600
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCN(CC)S(=O)(=O)c1ccccc1S(N)(=O)=O
InChIKey
CEHWHKLENCWIKC-UHFFFAOYSA-N
Molecular formula
C10H16N2O4S2
Average molar mass
292.4 g/mol

Names & identifiers

Preferred name
N,N-diethyl-1,2-benzenedisulfonamide
IUPAC
2-N,2-N-diethylbenzene-1,2-disulfonamide

Names & synonyms

2-(n,n-diethylaminosulfonyl)benzenesulfonamideSCHEMBL7233428CEHWHKLENCWIKC-UHFFFAOYSA-NN,N-diethyl-1,2-benzenedisulfonamide77888-52-9DB-2165422-[(N,N-diethylamino)sulfonyl]benzenesulfonamide

Database identifiers

PubChem CID
12819600

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
114 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
18
Formal charge
0
Complexity
457

Related reactions

13 records
New reaction record
HRID 66446 reaction equation
HRID 66446As productuspto-grants-1982_08
HRID 232528 reaction equation
HRID 232528As reactantuspto-grants-1997_01
HRID 847655 reaction equation
HRID 847655As productuspto-grants-1981_10
HRID 847656 reaction equation
HRID 847656As reactantuspto-grants-1981_10
HRID 1105749 reaction equation
HRID 1105749As productuspto-grants-1982_01
HRID 1105750 reaction equation
HRID 1105750As reactantuspto-grants-1982_01
HRID 1130231 reaction equation
HRID 1130231As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1568923 reaction equation
HRID 1568923As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
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Compound notes

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