T5G

4-bromobenzene-1-sulfonamide

Created:2020-03-16
Last modified:  2020-03-25

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Chemical Details

Formal Charge0
Atom Count17
Chiral Atom Count0
Bond Count17
Aromatic Bond Count6
2D diagram of T5G

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Chemical Component Summary

Name4-bromobenzene-1-sulfonamide
Systematic Name (OpenEye OEToolkits)4-bromanylbenzenesulfonamide
FormulaC6 H6 Br N O2 S
Molecular Weight236.086
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1c(ccc(c1)Br)S(N)(=O)=O
SMILESCACTVS3.385N[S](=O)(=O)c1ccc(Br)cc1
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1S(=O)(=O)N)Br
Canonical SMILESCACTVS3.385 N[S](=O)(=O)c1ccc(Br)cc1
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc(ccc1S(=O)(=O)N)Br
InChIInChI1.03 InChI=1S/C6H6BrNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
InChIKeyInChI1.03 STYQHICBPYRHQK-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL178852
PubChem 69696
ChEMBL CHEMBL178852
CCDC/CSD EXICOD01, EXICOD, NUMJOW, NUMHOU
COD 1542821