D9Z

5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide

Created:2008-06-03
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count0
Bond Count23
Aromatic Bond Count12
2D diagram of D9Z

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Chemical Component Summary

Name5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide
Systematic Name (OpenEye OEToolkits)5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide
FormulaC8 H6 Cl N3 O2 S2
Molecular Weight275.735
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(c1nnc(s1)c2c(Cl)cccc2)N
SMILESCACTVS3.341N[S](=O)(=O)c1sc(nn1)c2ccccc2Cl
SMILESOpenEye OEToolkits1.5.0c1ccc(c(c1)c2nnc(s2)S(=O)(=O)N)Cl
Canonical SMILESCACTVS3.341 N[S](=O)(=O)c1sc(nn1)c2ccccc2Cl
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(c(c1)c2nnc(s2)S(=O)(=O)N)Cl
InChIInChI1.03 InChI=1S/C8H6ClN3O2S2/c9-6-4-2-1-3-5(6)7-11-12-8(15-7)16(10,13)14/h1-4H,(H2,10,13,14)
InChIKeyInChI1.03 PZVGOWIIHCUHAO-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB07632 
Name5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide
Groups experimental
Synonyms5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
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 CHEMBL360356
PubChem 165323
ChEMBL CHEMBL360356