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

C13H14F3N3O3S — CID 127266838

IUPAC1-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NC(C)c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C13H14F3N3O3S/c1-8-4-3-5-10(6-8)7-23(20,21)19-9(2)11-17-12(22-18-11)13(14,15)16/h3-6,9,19H,7H2,1-2H3
InChIKeyHCVVCHFGOGJSJA-UHFFFAOYSA-N
MW349.33 g/mol
LogP2.58
Rot. Bonds5

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

1-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]methanesulfonamide (PubChem CID 127266838) has the molecular formula C13H14F3N3O3S and a molecular weight of 349.33 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]methanesulfonamide
PubChem CID127266838
Molecular FormulaC13H14F3N3O3S
Molecular Weight349.33 g/mol
Exact Mass349.07
IUPAC Name1-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NC(C)c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C13H14F3N3O3S/c1-8-4-3-5-10(6-8)7-23(20,21)19-9(2)11-17-12(22-18-11)13(14,15)16/h3-6,9,19H,7H2,1-2H3
InChIKeyHCVVCHFGOGJSJA-UHFFFAOYSA-N
XLogP2.58
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
CID 27210154
N-(2,4-dimethylpentan-3-yl)-1-(3-methylphenyl)methanesulfonamide
CID 27210808
1-(3-methylphenyl)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 9186143
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 133230316
3-methyl-5-[(3-methylphenyl)methylsulfonylmethyl]-1,2,4-oxadiazole
CID 47206585
N-[1-(furan-3-yl)propan-2-yl]-1-(3-methylphenyl)methanesulfonamide
CID 121127099
N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 115078850
N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119972396
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119985053
N-(4,4-dimethylpentyl)-1-(3-methylphenyl)methanesulfonamide
CID 110421112
N-(2-amino-2-ethylbutyl)-1-(3-methylphenyl)methanesulfonamide
CID 119989766
1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 103594655

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]methanesulfonamide?
The IUPAC name of 1-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]methanesulfonamide (CID 127266838) is 1-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]methanesulfonamide?
The canonical SMILES for 1-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]methanesulfonamide is Cc1cccc(CS(=O)(=O)NC(C)c2noc(C(F)(F)F)n2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]methanesulfonamide?
The InChIKey is HCVVCHFGOGJSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O3S/c1-8-4-3-5-10(6-8)7-23(20,21)19-9(2)11-17-12(22-18-11)13(14,15)16/h3-6,9,19H,7H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]methanesulfonamide?
1-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]methanesulfonamide has a molecular weight of 349.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 127266838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).