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
Structure
3D MOL 2D MOL
#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
CAS Number
98-10-2
TTD ID
D09QHC

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 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 I (CA-I) DTT CA1 5.23E-14 -0.11 -0.41
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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