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

C15H17F3N4O3S — CID 120864112

IUPACN-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1C(F)(F)F)c1nc(C2(N)CCC2)no1
InChIInChI=1S/C15H17F3N4O3S/c1-9(12-20-13(21-25-12)14(19)7-4-8-14)22-26(23,24)11-6-3-2-5-10(11)15(16,17)18/h2-3,5-6,9,22H,4,7-8,19H2,1H3
InChIKeyAXLCIJWCQJEMFA-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.47
Rot. Bonds5

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

N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 120864112) has the molecular formula C15H17F3N4O3S and a molecular weight of 390.39 g/mol. Its IUPAC name is N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID120864112
Molecular FormulaC15H17F3N4O3S
Molecular Weight390.39 g/mol
Exact Mass390.10
IUPAC NameN-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1C(F)(F)F)c1nc(C2(N)CCC2)no1
InChIInChI=1S/C15H17F3N4O3S/c1-9(12-20-13(21-25-12)14(19)7-4-8-14)22-26(23,24)11-6-3-2-5-10(11)15(16,17)18/h2-3,5-6,9,22H,4,7-8,19H2,1H3
InChIKeyAXLCIJWCQJEMFA-UHFFFAOYSA-N
XLogP2.47
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[2-[2-(trifluoromethyl)phenyl]propyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861553
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
CID 120864077
1-[5-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861531
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide;hydrochloride
CID 120854836
1-[5-(1-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853877
1-[5-[2-(2-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863796
[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl] 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 167952540
1-[5-[1-(4-phenylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859641
1-[5-[1-(2-fluorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853344
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methylbenzenesulfonamide
CID 120853109
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide;hydrochloride
CID 120853886
1-[5-[1-(3-fluorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854157

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(trifluoromethyl)benzenesulfonamide (CID 120864112) is N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(trifluoromethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccccc1C(F)(F)F)c1nc(C2(N)CCC2)no1.
What is the InChIKey of N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AXLCIJWCQJEMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O3S/c1-9(12-20-13(21-25-12)14(19)7-4-8-14)22-26(23,24)11-6-3-2-5-10(11)15(16,17)18/h2-3,5-6,9,22H,4,7-8,19H2,1H3.
What are the key properties of N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 390.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 120864112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).