N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide

C17H15F3N4O3S — CID 126506887

IUPACN-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cn1)c1ccccc1
InChIInChI=1S/C17H15F3N4O3S/c1-2-28(25,26)24(14-6-4-3-5-7-14)11-13-9-8-12(10-21-13)15-22-23-16(27-15)17(18,19)20/h3-10H,2,11H2,1H3
InChIKeyQMDIZFNOQHJRMH-UHFFFAOYSA-N
MW412.39 g/mol
LogP3.51
Rot. Bonds6

About N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide

N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide (PubChem CID 126506887) has the molecular formula C17H15F3N4O3S and a molecular weight of 412.39 g/mol. Its IUPAC name is N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide
PubChem CID126506887
Molecular FormulaC17H15F3N4O3S
Molecular Weight412.39 g/mol
Exact Mass412.08
IUPAC NameN-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cn1)c1ccccc1
InChIInChI=1S/C17H15F3N4O3S/c1-2-28(25,26)24(14-6-4-3-5-7-14)11-13-9-8-12(10-21-13)15-22-23-16(27-15)17(18,19)20/h3-10H,2,11H2,1H3
InChIKeyQMDIZFNOQHJRMH-UHFFFAOYSA-N
XLogP3.51
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]methanesulfonamide
CID 126506136
N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylethanesulfonamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide
CID 158178827
N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]methanesulfonamide;2,2,2-trifluoro-N-[2-[6-[(N-methylsulfonylanilino)methyl]-3-pyridinyl]-2-oxoethyl]acetamide
CID 161465823
4-methyl-N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-carboxamide
CID 162598387
N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chloro-4-fluorophenyl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide
CID 158788987
1,1-dioxo-N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1,4-thiazinane-4-carboxamide
CID 140894438
N-(3,4-difluorophenyl)-N-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]methyl]ethanesulfonamide
CID 126541416
N-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide
CID 156507928
1-cyclobutyl-N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-4-sulfonamide
CID 147388723
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide
CID 126507616
N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-[methyl(dimethylidene)-λ6-sulfanyl]-N-phenylpiperazine-1-sulfonamide
CID 153258944
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenylpiperidine-4-sulfonamide;dihydrochloride
CID 126507113

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide?
The IUPAC name of N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide (CID 126506887) is N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide.
What is the SMILES notation for N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide?
The canonical SMILES for N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide is CCS(=O)(=O)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cn1)c1ccccc1.
What is the InChIKey of N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide?
The InChIKey is QMDIZFNOQHJRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O3S/c1-2-28(25,26)24(14-6-4-3-5-7-14)11-13-9-8-12(10-21-13)15-22-23-16(27-15)17(18,19)20/h3-10H,2,11H2,1H3.
What are the key properties of N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide?
N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide has a molecular weight of 412.39 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide is sourced from PubChem (CID 126506887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).