Details of the Drug

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
• #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 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

References

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