Details of the Drug

General Information of Drug (ID: DM3I8A1)

• Drug Name: BENZENESULFONAMIDE
• Synonyms: 1998/10/2; Benzenesulphonamide; Benzosulfonamide; Benzolsulfonamide; phenyl sulfonamide; phenylsulfonamide; C6H7NO2S; M and B 7973; NSC 5341; EINECS 202-637-1; BRN 1100566; CHEMBL27601; AI3-04492; KHBQMWCZKVMBLN-UHFFFAOYSA-N; MFCD00007930; Benzenesulfonamide, 98+%; benzolsulfonamid; benzensulfonamide; phenylsulphonamide; 4jsa; 4jsz; 2wej; benzene sulphonamide; 1-benzenesulfonamide; Benzenesulfonyl amine; WLN: ZSWR; AC1Q6VDE; AC1L1OLV; benzenesulfonic acid amide; SCHEMBL729; EC 202

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); 157.19
  Logarithm of the Partition Coefficient (xlogp); 0.3
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C6H7NO2S
  IUPAC Name: benzenesulfonamide
  Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)N
  InChI: InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
  InChIKey: KHBQMWCZKVMBLN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 7370
  ChEBI ID: CHEMBL27601
  CAS Number: 98-10-2
  TTD ID: D09QHC
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase I (CA-I)	TTHQPL7	CAH1_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 I (CA-I)	DTT	CA1	5.23E-14	-0.11	-0.41

References

• [1] Ligand-directed tosyl chemistry for protein labeling in vivo. Nat Chem Biol. 2009 May;5(5):341-3.