2QF

N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-7-carboxamide

Created:	2014-01-13
Last modified:	2014-06-18

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1 entries where 2QF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	22

2D diagram of 2QF

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Chemical Component Summary
Name	N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-7-carboxamide
Systematic Name (OpenEye OEToolkits)	N-[[4-[3,5-bis(fluoranyl)phenyl]sulfonylphenyl]methyl]indolizine-7-carboxamide
Formula	C₂₂ H₁₆ F₂ N₂ O₃ S
Molecular Weight	426.436
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1cc(cc(F)c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c4cc3cccn3cc4
SMILES	CACTVS	3.385	Fc1cc(F)cc(c1)[S](=O)(=O)c2ccc(CNC(=O)c3ccn4cccc4c3)cc2
SMILES	OpenEye OEToolkits	1.7.6	c1cc2cc(ccn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F
Canonical SMILES	CACTVS	3.385	Fc1cc(F)cc(c1)[S](=O)(=O)c2ccc(CNC(=O)c3ccn4cccc4c3)cc2
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc2cc(ccn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F
InChI	InChI	1.03	InChI=1S/C22H16F2N2O3S/c23-17-11-18(24)13-21(12-17)30(28,29)20-5-3-15(4-6-20)14-25-22(27)16-7-9-26-8-1-2-19(26)10-16/h1-13H,14H2,(H,25,27)
InChIKey	InChI	1.03	XVCMNEXVVACQMR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	76401548

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