NLV

4-[(6-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid

Created:	2019-05-20
Last modified:	2024-09-27

Find Related PDB Entry
1 entries where NLV is covalently linked to polymer or other heterogen groups

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	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	12

2D diagram of NLV

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4-[(6-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
Systematic Name (OpenEye OEToolkits)	4-[(6-chloranylpyridin-2-yl)sulfamoyl]benzenesulfonic acid
Formula	C₁₁ H₉ Cl N₂ O₅ S₂
Molecular Weight	348.783
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N(c1nc(Cl)ccc1)S(c2ccc(cc2)S(=O)(=O)O)(=O)=O
SMILES	CACTVS	3.385	O[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2cccc(Cl)n2
SMILES	OpenEye OEToolkits	2.0.7	c1cc(nc(c1)Cl)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O
Canonical SMILES	CACTVS	3.385	O[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2cccc(Cl)n2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(nc(c1)Cl)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O
InChI	InChI	1.03	InChI=1S/C11H9ClN2O5S2/c12-10-2-1-3-11(13-10)14-20(15,16)8-4-6-9(7-5-8)21(17,18)19/h1-7H,(H,13,14)(H,17,18,19)
InChIKey	InChI	1.03	AOXDXPJHIZMZOS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	145994353

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.