56F

1-(4-chlorophenyl)-N-methylmethanesulfonamide

Created:	2015-08-04
Last modified:	2016-08-03

Find Related PDB Entry
1 entries where 56F 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	23
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	6

2D diagram of 56F

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1-(4-chlorophenyl)-N-methylmethanesulfonamide
Systematic Name (OpenEye OEToolkits)	1-(4-chlorophenyl)-N-methyl-methanesulfonamide
Formula	C₈ H₁₀ Cl N O₂ S
Molecular Weight	219.688
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N(C)S(Cc1ccc(cc1)Cl)(=O)=O
SMILES	CACTVS	3.385	CN[S](=O)(=O)Cc1ccc(Cl)cc1
SMILES	OpenEye OEToolkits	1.9.2	CNS(=O)(=O)Cc1ccc(cc1)Cl
Canonical SMILES	CACTVS	3.385	CN[S](=O)(=O)Cc1ccc(Cl)cc1
Canonical SMILES	OpenEye OEToolkits	1.9.2	CNS(=O)(=O)Cc1ccc(cc1)Cl
InChI	InChI	1.03	InChI=1S/C8H10ClNO2S/c1-10-13(11,12)6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
InChIKey	InChI	1.03	YPYACBWYLBGTPU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1248124

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.