T5G

4-bromobenzene-1-sulfonamide

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

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1 entries where T5G is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	6

2D diagram of T5G

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Chemical Component Summary
Name	4-bromobenzene-1-sulfonamide
Systematic Name (OpenEye OEToolkits)	4-bromanylbenzenesulfonamide
Formula	C₆ H₆ Br N O₂ S
Molecular Weight	236.086
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(ccc(c1)Br)S(N)(=O)=O
SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(Br)cc1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1S(=O)(=O)N)Br
Canonical SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(Br)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1S(=O)(=O)N)Br
InChI	InChI	1.03	InChI=1S/C6H6BrNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
InChIKey	InChI	1.03	STYQHICBPYRHQK-UHFFFAOYSA-N

Related Resource References

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

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.