General Information of the Compound
Compound ID
CP0035649
Compound Name
2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide
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Synonyms
1,3,4-Thiadiazole-2-sulfonamide, 5-((phenylsulfonyl)amino)-
1,3,4-Thiadiazole-2-sulfonamide, 5-[(phenylsulfonyl)amino]-
2-(Phenylsulfonylamino)-1,3,4-thiadiazole-5-sulfonamide
2-benzenesulfonamido-1,3,4-thiadiazole-5-sulfonamide
3368-13-6
3d8w
3dbu
5-(phenylsulfonamido)-1,3,4-thiadiazole-2-sulfonamide
5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide
5-benzenesulfonamido-1,3,4-thiadiazol-2-sulfonamide
AC1L2CTC
BENZOLAMIDE
Benzolamide (BZA)
CHEMBL73962
CL 11366
D8W
FC5AAH89R5
UNII-FC5AAH89R5
W 1803
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Structure
Formula
C8H8N4O4S3
Molecular Weight
320.377
Canonical SMILES
NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1
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InChI
InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)
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InChIKey
PWDGTQXZLNDOKS-UHFFFAOYSA-N
CAS
3368-13-6
Physicochemical Property
logP
-0.0137
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
132.11
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
19

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 18794
SID: 15469936
ChEMBL ID
CHEMBL73962
DrugBank ID
DB07050
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00209, Carbonic anhydrase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 20.4 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 20.4 nM
Clinical Information about the Compound
Drug 1 ( BENZOLAMIDE )
Drug Name BENZOLAMIDE
Target(s)
Carbonic anhydrase IV (CA-IV)
Inhibitor
Carbonic anhydrase XII (CA-XII)
Inhibitor
Carbonic anhydrase XIV (CA-XIV)
Inhibitor
Carbonic anhydrase VI (CA-VI)
Inhibitor
Carbonic anhydrase IX (CA-IX)
Inhibitor
Carbonic anhydrase II (CA-II)
Inhibitor
Carbonic anhydrase I (CA-I)
Inhibitor