TPD

N-(2-THIENYLMETHYL)-2,5-THIOPHENEDISULFONAMIDE

Created:2001-03-28
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count29
Chiral Atom Count0
Bond Count30
Aromatic Bond Count10
2D diagram of TPD

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Chemical Component Summary

NameN-(2-THIENYLMETHYL)-2,5-THIOPHENEDISULFONAMIDE
Systematic Name (OpenEye OEToolkits)N-(thiophen-2-ylmethyl)thiophene-2,5-disulfonamide
FormulaC9 H10 N2 O4 S4
Molecular Weight338.447
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(c1sc(cc1)S(=O)(=O)NCc2sccc2)N
SMILESCACTVS3.341N[S](=O)(=O)c1sc(cc1)[S](=O)(=O)NCc2sccc2
SMILESOpenEye OEToolkits1.5.0c1cc(sc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N
Canonical SMILESCACTVS3.341 N[S](=O)(=O)c1sc(cc1)[S](=O)(=O)NCc2sccc2
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(sc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N
InChIInChI1.03 InChI=1S/C9H10N2O4S4/c10-18(12,13)8-3-4-9(17-8)19(14,15)11-6-7-2-1-5-16-7/h1-5,11H,6H2,(H2,10,12,13)
InChIKeyInChI1.03 STOTVDLYLKWVJB-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB02986 
NameN-(2-Thienylmethyl)-2,5-Thiophenedisulfonamide
Groups experimental
SynonymsN-(2-Thienylmethyl)-2,5-Thiophenedisulfonamide

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...unknowninhibitor
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
PubChem 4293