FWF

N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dipropane-2-sulfonamide

Created:	2014-07-16
Last modified:	2014-09-05

Find Related PDB Entry
13 entries where FWF 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	68
Chiral Atom Count	2
Bond Count	69
Aromatic Bond Count	12

2D diagram of FWF

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dipropane-2-sulfonamide
Systematic Name (OpenEye OEToolkits)	N-[(2R)-2-[4-[4-[(2R)-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]propyl]propane-2-sulfonamide
Formula	C₂₄ H₃₆ N₂ O₄ S₂
Molecular Weight	480.684
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(NCC(c2ccc(c1ccc(cc1)C(CNS(=O)(=O)C(C)C)C)cc2)C)C(C)C
SMILES	CACTVS	3.385	CC(C)[S](=O)(=O)NC[CH](C)c1ccc(cc1)c2ccc(cc2)[CH](C)CN[S](=O)(=O)C(C)C
SMILES	OpenEye OEToolkits	1.9.2	CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)c2ccc(cc2)C(C)CNS(=O)(=O)C(C)C
Canonical SMILES	CACTVS	3.385	CC(C)[S](=O)(=O)NC[C@H](C)c1ccc(cc1)c2ccc(cc2)[C@@H](C)CN[S](=O)(=O)C(C)C
Canonical SMILES	OpenEye OEToolkits	1.9.2	C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)[C@@H](C)CNS(=O)(=O)C(C)C
InChI	InChI	1.03	InChI=1S/C24H36N2O4S2/c1-17(2)31(27,28)25-15-19(5)21-7-11-23(12-8-21)24-13-9-22(10-14-24)20(6)16-26-32(29,30)18(3)4/h7-14,17-20,25-26H,15-16H2,1-6H3/t19-,20-/m0/s1
InChIKey	InChI	1.03	HGLQSTHVRKGLQP-PMACEKPBSA-N

Related Resource References

Resource Name	Reference
PubChem	44468130

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.