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

C19H18F3N3O3S — CID 156666698

IUPACN-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]benzenesulfonamide
SMILESCCCC(NS(=O)(=O)c1ccccc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C19H18F3N3O3S/c1-2-6-16(25-29(26,27)15-7-4-3-5-8-15)13-9-11-14(12-10-13)17-23-18(28-24-17)19(20,21)22/h3-5,7-12,16,25H,2,6H2,1H3
InChIKeyYTFXGVBPCQYABM-UHFFFAOYSA-N
MW425.43 g/mol
LogP4.58
Rot. Bonds7

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

N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]benzenesulfonamide (PubChem CID 156666698) has the molecular formula C19H18F3N3O3S and a molecular weight of 425.43 g/mol. Its IUPAC name is N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]benzenesulfonamide
PubChem CID156666698
Molecular FormulaC19H18F3N3O3S
Molecular Weight425.43 g/mol
Exact Mass425.10
IUPAC NameN-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]benzenesulfonamide
SMILESCCCC(NS(=O)(=O)c1ccccc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C19H18F3N3O3S/c1-2-6-16(25-29(26,27)15-7-4-3-5-8-15)13-9-11-14(12-10-13)17-23-18(28-24-17)19(20,21)22/h3-5,7-12,16,25H,2,6H2,1H3
InChIKeyYTFXGVBPCQYABM-UHFFFAOYSA-N
XLogP4.58
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.43
LogP ≤ 54.58
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]propyl]benzenesulfonamide
CID 156666693
N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]pyrrolidine-1-sulfonamide
CID 156666634
N-pentan-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138669517
3-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 135370222
N-[(1-methylpyrrolidin-3-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 71230828
N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 174717303
3-[4-[1-(benzenesulfonyl)azetidin-3-yl]oxyphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 146461714
imino-methyl-oxo-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-λ6-sulfane
CID 139383494
N-(5-methyl-1,2-oxazol-3-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 155962472
5-oxo-5-[4-[[(1S)-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pentyl]amino]phenyl]pentanoic acid
CID 158996953
3-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide
CID 155192835
3-[4-[(2-methylphenyl)methylsulfonyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 159828383

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]benzenesulfonamide?
The IUPAC name of N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]benzenesulfonamide (CID 156666698) is N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]benzenesulfonamide.
What is the SMILES notation for N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]benzenesulfonamide?
The canonical SMILES for N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]benzenesulfonamide is CCCC(NS(=O)(=O)c1ccccc1)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]benzenesulfonamide?
The InChIKey is YTFXGVBPCQYABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3S/c1-2-6-16(25-29(26,27)15-7-4-3-5-8-15)13-9-11-14(12-10-13)17-23-18(28-24-17)19(20,21)22/h3-5,7-12,16,25H,2,6H2,1H3.
What are the key properties of N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]benzenesulfonamide?
N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]benzenesulfonamide has a molecular weight of 425.43 g/mol, XLogP of 4.58, 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]benzenesulfonamide is sourced from PubChem (CID 156666698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).