FB2

benzenesulfonamide

Created:	2009-03-31
Last modified:	2011-06-04

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8 entries where FB2 is found as a standalone ligand1 entries where FB2 is covalently linked to polymer or other heterogen groups

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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 FB2

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Chemical Component Summary
Name	benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	benzenesulfonamide
Formula	C₆ H₇ N O₂ S
Molecular Weight	157.19
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(N)c1ccccc1
SMILES	CACTVS	3.352	N[S](=O)(=O)c1ccccc1
SMILES	OpenEye OEToolkits	1.6.1	c1ccc(cc1)S(=O)(=O)N
Canonical SMILES	CACTVS	3.352	N[S](=O)(=O)c1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.6.1	c1ccc(cc1)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
InChIKey	InChI	1.03	KHBQMWCZKVMBLN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL27601
PubChem	14928400, 7370
ChEMBL	CHEMBL27601
CCDC/CSD	ENAHIL, HOXBSA01, NUMKEN, HUQYAV, VAVLUZ, XENPAI, VAVLUZ01, HOXBSA, NUMHAG, YIFZAP, NUMJEM
COD	1542824, 2213750

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.