O92

3-AMINO-6-{4-CHLORO-3-[(2,3-DIFLUOROPHENYL)SULFAMOYL]PHENYL}-N-METHYLPYRAZINE-2-CARBOXAMIDE

Created:2012-03-22
Last modified:  2014-09-05

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count0
Bond Count46
Aromatic Bond Count18
2D diagram of O92

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Chemical Component Summary

Name3-AMINO-6-{4-CHLORO-3-[(2,3-DIFLUOROPHENYL)SULFAMOYL]PHENYL}-N-METHYLPYRAZINE-2-CARBOXAMIDE
Systematic Name (OpenEye OEToolkits)3-azanyl-6-[3-[[2,3-bis(fluoranyl)phenyl]sulfamoyl]-4-chloranyl-phenyl]-N-methyl-pyrazine-2-carboxamide
FormulaC18 H14 Cl F2 N5 O3 S
Molecular Weight453.85
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1nc(cnc1N)c2ccc(Cl)c(c2)S(=O)(=O)Nc3cccc(F)c3F)NC
SMILESCACTVS3.385CNC(=O)c1nc(cnc1N)c2ccc(Cl)c(c2)[S](=O)(=O)Nc3cccc(F)c3F
SMILESOpenEye OEToolkits1.9.2CNC(=O)c1c(ncc(n1)c2ccc(c(c2)S(=O)(=O)Nc3cccc(c3F)F)Cl)N
Canonical SMILESCACTVS3.385 CNC(=O)c1nc(cnc1N)c2ccc(Cl)c(c2)[S](=O)(=O)Nc3cccc(F)c3F
Canonical SMILESOpenEye OEToolkits1.9.2 CNC(=O)c1c(ncc(n1)c2ccc(c(c2)S(=O)(=O)Nc3cccc(c3F)F)Cl)N
InChIInChI1.03 InChI=1S/C18H14ClF2N5O3S/c1-23-18(27)16-17(22)24-8-13(25-16)9-5-6-10(19)14(7-9)30(28,29)26-12-4-2-3-11(20)15(12)21/h2-8,26H,1H3,(H2,22,24)(H,23,27)
InChIKeyInChI1.03 GEYLKEHPEKRUTC-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL2152252
PubChem 56955954
ChEMBL CHEMBL2152252