1,4-Bis(m-carboxyphenylsulfonyl)-2,5-dimethylpiperazine

HCID 21426816
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Basic information

Standard SMILES
CC1CN(S(=O)(=O)c2cccc(C(=O)O)c2)C(C)CN1S(=O)(=O)c1cccc(C(=O)O)c1
InChIKey
FQLUSIWWIXAVFO-UHFFFAOYSA-N
Molecular formula
C20H22N2O8S2
Average molar mass
482.5 g/mol

Names & identifiers

Preferred name
1,4-Bis(m-carboxyphenylsulfonyl)-2,5-dimethylpiperazine
IUPAC
3-[4-(3-carboxyphenyl)sulfonyl-2,5-dimethylpiperazin-1-yl]sulfonylbenzoic acid

Names & synonyms

SCHEMBL11727554FQLUSIWWIXAVFO-UHFFFAOYSA-N1,4-bis(m-carboxyphenylsulfonyl)-2,5-dimethylpiperazine

Database identifiers

PubChem CID
21426816

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
166 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
6
Heavy atoms
32

Related reactions

1 records
New reaction record

Linked notes

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