Details of the Drug

General Information of Drug (ID: DMNDS19)

• Drug Name: 4-Flourobenzenesulfonamide
• Synonyms: 4-Fluorobenzenesulfonamide; 402-46-0; p-Fluorobenzenesulfonamide; 4-fluorobenzenesulphonamide; 4-fluorobenzene-1-sulfonamide; p-Fluorobenzenesulphonamide; 4-FLOUROBENZENESULFONAMIDE; EINECS 206-946-2; 4-fluoro-benzenesulfonamide; BRN 2832246; Benzenesulfonamide, p-fluoro-; Benzenesulfonamide, 4-fluoro-; PubChem2167; ACMC-1ACSJ; 4-Fuloro sulfonamide, C; 4-fluorobenzene sulfonamide; Cambridge id 5135296; AC1Q55BS; AC1L3QD2; 4-fluoranylbenzenesulfonamide; 4-fluoro benzene sulfonamide; Benzenesulfonamide,4-fluoro-; 4-11-00-00102 (Be

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); 175.18
  Logarithm of the Partition Coefficient (xlogp); 0.8
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C6H6FNO2S
  IUPAC Name: 4-fluorobenzenesulfonamide
  Canonical SMILES: C1=CC(=CC=C1F)S(=O)(=O)N
  InChI: InChI=1S/C6H6FNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
  InChIKey: LFLSATHZMYYIAQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 120231
  CAS Number: 402-46-0
  UNII: UWB1PR3UR6
  DrugBank ID: DB01784
  TTD ID: D00SJT

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.