D8W

5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide

Created: 2008-05-27
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count0
Bond Count28
Aromatic Bond Count11
2D diagram of D8W
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Chemical Component Summary

Name5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide
Systematic Name (OpenEye OEToolkits)5-(phenylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide
FormulaC8 H8 N4 O4 S3
Molecular Weight320.369
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=S(=O)(c1nnc(s1)NS(=O)(=O)c2ccccc2)N
SMILESCACTVS3.341N[S](=O)(=O)c1sc(N[S](=O)(=O)c2ccccc2)nn1
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N
Canonical SMILESCACTVS3.341 N[S](=O)(=O)c1sc(N[S](=O)(=O)c2ccccc2)nn1
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N
InChIInChI1.03 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)
InChIKeyInChI1.03 PWDGTQXZLNDOKS-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB07050 
Name5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide
Groups experimental
Synonyms5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide

Drug Targets

NameTarget SequencePharmacological ActionActions
Carbonic anhydrase 2MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVS...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL73962
PubChem 18794
ChEMBL CHEMBL73962