General Information of Drug (ID: DMGEYAK)

Drug Name
2,6-Difluorobenzenesulfonamide
Synonyms
2,6-DIFLUOROBENZENESULFONAMIDE; 60230-37-7; 2,6-difluorobenzenesulphonamide; 2,6-difluorobenzene-1-sulfonamide; Benzenesulfonamide, 2,6-difluoro-; FBT; 2,6-Difluorophenylsulphonylamide; PubChem11779; ACMC-209vki; AC1L9JF9; KSC495S1R; SCHEMBL677588; 2,6-difluorobenzenesulfon-amide; 2,6-difluoro-benzenesulfonamide; CTK3J5918; CHEBI:42429; DTXSID60332218; MolPort-000-154-262; RVVVGGCOFWWDEL-UHFFFAOYSA-N; ZINC404039; KS-000010UU; WT2099; STL554304; SBB091559; WT1897; BBL100510; ANW-45184; 2,6-Difluorobenzenesulfonamide, 97%
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 193.17
Logarithm of the Partition Coefficient (xlogp) 0.7
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C6H5F2NO2S
IUPAC Name
2,6-difluorobenzenesulfonamide
Canonical SMILES
C1=CC(=C(C(=C1)F)S(=O)(=O)N)F
InChI
InChI=1S/C6H5F2NO2S/c7-4-2-1-3-5(8)6(4)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKey
RVVVGGCOFWWDEL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
446274
ChEBI ID
CHEBI:42429
CAS Number
60230-37-7
DrugBank ID
DB03270
TTD ID
D05DFJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Carbonic anhydrase II (CA-II) TTANPDJ CAH2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Carbonic anhydrase II (CA-II) DTT CA2 7.95E-08 0.52 0.33
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.