AL9

N-[(4-METHOXYPHENYL)METHYL]2,5-THIOPHENEDESULFONAMIDE

Created:1999-07-08
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count0
Bond Count37
Aromatic Bond Count11
2D diagram of AL9

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Chemical Component Summary

NameN-[(4-METHOXYPHENYL)METHYL]2,5-THIOPHENEDESULFONAMIDE
SynonymsAL5927
Systematic Name (OpenEye OEToolkits)N-[(4-methoxyphenyl)methyl]thiophene-2,5-disulfonamide
FormulaC12 H14 N2 O5 S3
Molecular Weight362.445
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(c1sc(cc1)S(=O)(=O)NCc2ccc(OC)cc2)N
SMILESCACTVS3.341COc1ccc(CN[S](=O)(=O)c2sc(cc2)[S](N)(=O)=O)cc1
SMILESOpenEye OEToolkits1.5.0COc1ccc(cc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N
Canonical SMILESCACTVS3.341 COc1ccc(CN[S](=O)(=O)c2sc(cc2)[S](N)(=O)=O)cc1
Canonical SMILESOpenEye OEToolkits1.5.0 COc1ccc(cc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N
InChIInChI1.03 InChI=1S/C12H14N2O5S3/c1-19-10-4-2-9(3-5-10)8-14-22(17,18)12-7-6-11(20-12)21(13,15)16/h2-7,14H,8H2,1H3,(H2,13,15,16)
InChIKeyInChI1.03 LRRAIRJIZOLGPR-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB03526 
NameAL5927
Groups experimental
SynonymsAL5927

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 4316