N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide

C12H12F3N3O3S — CID 166203944

IUPACN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1noc(C(C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H12F3N3O3S/c1-7(11-16-8(2)17-21-11)18-22(19,20)10-5-3-4-9(6-10)12(13,14)15/h3-7,18H,1-2H3
InChIKeyYYSYETLCOSSASL-UHFFFAOYSA-N
MW335.31 g/mol
LogP2.44
Rot. Bonds4

About N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide

N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 166203944) has the molecular formula C12H12F3N3O3S and a molecular weight of 335.31 g/mol. Its IUPAC name is N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID166203944
Molecular FormulaC12H12F3N3O3S
Molecular Weight335.31 g/mol
Exact Mass335.06
IUPAC NameN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1noc(C(C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H12F3N3O3S/c1-7(11-16-8(2)17-21-11)18-22(19,20)10-5-3-4-9(6-10)12(13,14)15/h3-7,18H,1-2H3
InChIKeyYYSYETLCOSSASL-UHFFFAOYSA-N
XLogP2.44
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 52800488
3-methyl-5-[1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 55531129
1,3-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxobenzimidazole-5-sulfonamide
CID 99094526
N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 8519021
2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanethioamide
CID 61124235
3-methyl-5-[1-[[3-(trifluoromethyl)phenyl]methylsulfinyl]ethyl]-1,2,4-oxadiazole
CID 56783992
4-fluoro-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 17101317
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 18286971
3-cyano-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 52508997
N-(4-bromo-5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 139864536
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 4964620
N-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2548756

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide (CID 166203944) is N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide is Cc1noc(C(C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YYSYETLCOSSASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O3S/c1-7(11-16-8(2)17-21-11)18-22(19,20)10-5-3-4-9(6-10)12(13,14)15/h3-7,18H,1-2H3.
What are the key properties of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 335.31 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 166203944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).