N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]pyrrolidine-1-sulfonamide

C17H21F3N4O3S — CID 156666634

IUPACN-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]pyrrolidine-1-sulfonamide
SMILESCCCC(NS(=O)(=O)N1CCCC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C17H21F3N4O3S/c1-2-5-14(23-28(25,26)24-10-3-4-11-24)12-6-8-13(9-7-12)15-21-16(27-22-15)17(18,19)20/h6-9,14,23H,2-5,10-11H2,1H3
InChIKeyYNOMAPNGBVILLC-UHFFFAOYSA-N
MW418.44 g/mol
LogP3.53
Rot. Bonds7

About N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]pyrrolidine-1-sulfonamide

N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]pyrrolidine-1-sulfonamide (PubChem CID 156666634) has the molecular formula C17H21F3N4O3S and a molecular weight of 418.44 g/mol. Its IUPAC name is N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]pyrrolidine-1-sulfonamide
PubChem CID156666634
Molecular FormulaC17H21F3N4O3S
Molecular Weight418.44 g/mol
Exact Mass418.13
IUPAC NameN-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]pyrrolidine-1-sulfonamide
SMILESCCCC(NS(=O)(=O)N1CCCC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C17H21F3N4O3S/c1-2-5-14(23-28(25,26)24-10-3-4-11-24)12-6-8-13(9-7-12)15-21-16(27-22-15)17(18,19)20/h6-9,14,23H,2-5,10-11H2,1H3
InChIKeyYNOMAPNGBVILLC-UHFFFAOYSA-N
XLogP3.53
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]benzenesulfonamide
CID 156666698
N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]morpholine-4-sulfonamide
CID 156666646
N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propyl]benzenesulfonamide
CID 156666693
N-pentan-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138669517
N-[(1-methylpyrrolidin-3-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 71230828
imino-methyl-oxo-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-λ6-sulfane
CID 139383494
pyrrolidin-1-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 71230722
[(1-methylpiperidin-3-yl)amino]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 123961632
3-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 135370222
azepan-1-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 86777416
5-oxo-5-[4-[[(1S)-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pentyl]amino]phenyl]pentanoic acid
CID 158996953
1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethane-1,2-diol
CID 155192965

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]pyrrolidine-1-sulfonamide (CID 156666634) is N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]pyrrolidine-1-sulfonamide is CCCC(NS(=O)(=O)N1CCCC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]pyrrolidine-1-sulfonamide?
The InChIKey is YNOMAPNGBVILLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O3S/c1-2-5-14(23-28(25,26)24-10-3-4-11-24)12-6-8-13(9-7-12)15-21-16(27-22-15)17(18,19)20/h6-9,14,23H,2-5,10-11H2,1H3.
What are the key properties of N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]pyrrolidine-1-sulfonamide?
N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]pyrrolidine-1-sulfonamide has a molecular weight of 418.44 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 156666634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).