VXN

4-chloranylbenzenesulfonic acid

Created:	2023-04-12
Last modified:	2024-01-24

Find Related PDB Entry
1 entries where VXN is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	6

2D diagram of VXN

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4-chloranylbenzenesulfonic acid
Systematic Name (OpenEye OEToolkits)	4-chloranylbenzenesulfonic acid
Formula	C₆ H₅ Cl O₃ S
Molecular Weight	192.62
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O[S](=O)(=O)c1ccc(Cl)cc1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1S(=O)(=O)O)Cl
Canonical SMILES	CACTVS	3.385	O[S](=O)(=O)c1ccc(Cl)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1S(=O)(=O)O)Cl
InChI	InChI	1.06	InChI=1S/C6H5ClO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)
InChIKey	InChI	1.06	RJWBTWIBUIGANW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7400
ChEMBL	CHEMBL1224628
CCDC/CSD	RUFFEE, GURTEV, IBOWAB, CUPNEJ, SIYZIJ, IBOZIM, TAPSUB, AJOTAX, EHAJAB, JEHPAN, MERPEE, LEZRIS, LIVYUL, SIYZUV, IKATUK, MUBJID, LITYOD, MERNEC, ECOQEV, CEFPEL, EDAFAQ, ADAQIG, DUJHUN, GAYQUS, ECAZAJ, RUGRAN, LITYUJ, OHIDAK, QUYWAK, CEDNEG, KERMOJ, NUGZOH, FIBSUF, MERMUR, DOLDOZ01, DOLDOZ, BUZSAR, SIYZEF, POWKUI, MIRXUJ, CIPZAF
COD	2229599, 2229913

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.