2G1

4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide

Created:2013-08-13
Last modified:  2014-06-25

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Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count0
Bond Count36
Aromatic Bond Count11
2D diagram of 2G1

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Chemical Component Summary

Name4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
Systematic Name (OpenEye OEToolkits)4-(2-methyl-1,3-thiazol-4-yl)-N-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
FormulaC13 H13 F3 N2 O2 S2
Molecular Weight350.38
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)CCNS(=O)(=O)c2ccc(c1nc(sc1)C)cc2
SMILESCACTVS3.385Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)NCCC(F)(F)F
SMILESOpenEye OEToolkits1.7.6Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(F)(F)F
Canonical SMILESCACTVS3.385 Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)NCCC(F)(F)F
Canonical SMILESOpenEye OEToolkits1.7.6 Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(F)(F)F
InChIInChI1.03 InChI=1S/C13H13F3N2O2S2/c1-9-18-12(8-21-9)10-2-4-11(5-3-10)22(19,20)17-7-6-13(14,15)16/h2-5,8,17H,6-7H2,1H3
InChIKeyInChI1.03 IQNRYHOPUGEBMI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 73507388
ChEMBL CHEMBL3286505