U98

2-(3-(trifluoromethyl)anilino)pyridine-3-sulfonamide

Created:	2013-05-20
Last modified:	2013-09-18

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1 entries where U98 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	12

2D diagram of U98

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Chemical Component Summary
Name	2-(3-(trifluoromethyl)anilino)pyridine-3-sulfonamide
Systematic Name (OpenEye OEToolkits)	2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-sulfonamide
Formula	C₁₂ H₁₀ F₃ N₃ O₂ S
Molecular Weight	317.287
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(F)c1cc(ccc1)Nc2ncccc2S(=O)(=O)N
SMILES	CACTVS	3.370	N[S](=O)(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F
SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)Nc2c(cccn2)S(=O)(=O)N)C(F)(F)F
Canonical SMILES	CACTVS	3.370	N[S](=O)(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)Nc2c(cccn2)S(=O)(=O)N)C(F)(F)F
InChI	InChI	1.03	InChI=1S/C12H10F3N3O2S/c13-12(14,15)8-3-1-4-9(7-8)18-11-10(21(16,19)20)5-2-6-17-11/h1-7H,(H,17,18)(H2,16,19,20)
InChIKey	InChI	1.03	WOYXTNYWFYWXFO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	902072
ChEMBL	CHEMBL1330078

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