Details of the Drug

General Information of Drug (ID: DMET46F)

• Drug Name: 3,5-Difluorobenzenesulfonamide
• Synonyms: 3,5-DIFLUOROBENZENESULFONAMIDE; 140480-89-3; 3,5-Difluorobenzenesulphonamide; Benzenesulfonamide, 3,5-difluoro-; 3,5-difluorobenzene-1-sulfonamide; Buttpark 27\07-04; FBU; PubChem11783; ACMC-20ai3d; AC1L9JFC; KSC493S5P; SCHEMBL602631; CHEBI:42566; CTK3J3957; DTXSID20332219; MKQPOVUFDWKPNO-UHFFFAOYSA-N; MolPort-000-150-739; ZINC2576766; JRD-1790; MFCD02091379; BBL100443; 6828AA; STL554237; ANW-74375; SBB091558; 3,5-Difluorobenzenesulfonamide, 97%; AKOS000148222; DB02087; VZ25762; TRA0083487; PS-8315; MCULE-4003409613; RTR-005258; CJ-10108

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: 3,5-difluorobenzenesulfonamide
  Canonical SMILES: C1=C(C=C(C=C1F)S(=O)(=O)N)F
  InChI: InChI=1S/C6H5F2NO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H,(H2,9,10,11)
  InChIKey: MKQPOVUFDWKPNO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 446275
  ChEBI ID: CHEBI:42566
  CAS Number: 140480-89-3
  DrugBank ID: DB02087
  TTD ID: D0S6GK

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] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.