S9S

~{N}-[2-(4-fluorophenyl)ethyl]methanesulfonamide

Created:	2020-03-06
Last modified:	2020-04-22

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5 entries where S9S is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	6

2D diagram of S9S

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Chemical Component Summary
Name	~{N}-[2-(4-fluorophenyl)ethyl]methanesulfonamide
Systematic Name (OpenEye OEToolkits)	~{N}-[2-(4-fluorophenyl)ethyl]methanesulfonamide
Formula	C₉ H₁₂ F N O₂ S
Molecular Weight	217.26
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[S](=O)(=O)NCCc1ccc(F)cc1
SMILES	OpenEye OEToolkits	2.0.6	CS(=O)(=O)NCCc1ccc(cc1)F
Canonical SMILES	CACTVS	3.385	C[S](=O)(=O)NCCc1ccc(F)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.6	CS(=O)(=O)NCCc1ccc(cc1)F
InChI	InChI	1.03	InChI=1S/C9H12FNO2S/c1-14(12,13)11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7H2,1H3
InChIKey	InChI	1.03	JZUQJFQXYYHUJT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1530178

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.