7T9

N-[(2S)-5-(6-FLUORO-3-PYRIDINYL)-2,3-DIHYDRO-1H-INDEN-2-YL]-2-PROPANESULFONAMIDE

Created:	2010-06-14
Last modified:	2011-06-04

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1 entries where 7T9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	1
Bond Count	44
Aromatic Bond Count	13

2D diagram of 7T9

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Chemical Component Summary
Name	N-[(2S)-5-(6-FLUORO-3-PYRIDINYL)-2,3-DIHYDRO-1H-INDEN-2-YL]-2-PROPANESULFONAMIDE
Systematic Name (OpenEye OEToolkits)	N-[(2S)-5-(6-fluoropyridin-3-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
Formula	C₁₇ H₁₉ F N₂ O₂ S
Molecular Weight	334.408
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Fc3ncc(c1cc2c(cc1)CC(NS(=O)(=O)C(C)C)C2)cc3
SMILES	CACTVS	3.352	CC(C)[S](=O)(=O)N[CH]1Cc2ccc(cc2C1)c3ccc(F)nc3
SMILES	OpenEye OEToolkits	1.6.1	CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)c3ccc(nc3)F
Canonical SMILES	CACTVS	3.352	CC(C)[S](=O)(=O)N[C@H]1Cc2ccc(cc2C1)c3ccc(F)nc3
Canonical SMILES	OpenEye OEToolkits	1.6.1	CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)c3ccc(nc3)F
InChI	InChI	1.03	InChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-13-4-3-12(7-15(13)9-16)14-5-6-17(18)19-10-14/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/m0/s1
InChIKey	InChI	1.03	QXQSUBKWSHMXDP-INIZCTEOSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1214399
PubChem	46398805
ChEMBL	CHEMBL1214399

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.