QF1

5-bromo-3-chloro-N-[1-cyclopentyl-2-(methylsulfonyl)-1H-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide

Created: 2019-10-21
Last modified:  2020-04-15

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count0
Bond Count46
Aromatic Bond Count11
2D diagram of QF1

Chemical Component Summary

Name5-bromo-3-chloro-N-[1-cyclopentyl-2-(methylsulfonyl)-1H-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide
Systematic Name (OpenEye OEToolkits)5-bromanyl-3-chloranyl-~{N}-(1-cyclopentyl-2-methylsulfonyl-imidazol-4-yl)-2-oxidanyl-benzenesulfonamide
FormulaC15 H17 Br Cl N3 O5 S2
Molecular Weight498.8
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01CS(c2nc(cn2C1CCCC1)NS(c3cc(cc(c3O)Cl)Br)(=O)=O)(=O)=O
SMILESCACTVS3.385C[S](=O)(=O)c1nc(N[S](=O)(=O)c2cc(Br)cc(Cl)c2O)cn1C3CCCC3
SMILESOpenEye OEToolkits2.0.7CS(=O)(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br
Canonical SMILESCACTVS3.385 C[S](=O)(=O)c1nc(N[S](=O)(=O)c2cc(Br)cc(Cl)c2O)cn1C3CCCC3
Canonical SMILESOpenEye OEToolkits2.0.7 CS(=O)(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br
InChIInChI1.03 InChI=1S/C15H17BrClN3O5S2/c1-26(22,23)15-18-13(8-20(15)10-4-2-3-5-10)19-27(24,25)12-7-9(16)6-11(17)14(12)21/h6-8,10,19,21H,2-5H2,1H3
InChIKeyInChI1.03 ZBIVDOJYQHNICX-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 146019259