LL0

2-(difluoromethoxy)benzene-1-sulfonamide

Created:	2022-03-04
Last modified:	2022-03-16

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4 entries where LL0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	6

2D diagram of LL0

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Chemical Component Summary
Name	2-(difluoromethoxy)benzene-1-sulfonamide
Systematic Name (OpenEye OEToolkits)	2-[bis(fluoranyl)methoxy]benzenesulfonamide
Formula	C₇ H₇ F₂ N O₃ S
Molecular Weight	223.197
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(N)(=O)c1ccccc1OC(F)F
SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccccc1OC(F)F
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)OC(F)F)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccccc1OC(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)OC(F)F)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C7H7F2NO3S/c8-7(9)13-5-3-1-2-4-6(5)14(10,11)12/h1-4,7H,(H2,10,11,12)
InChIKey	InChI	1.03	XDODAVQVIOWLPT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	13322075

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.