3-[3-(3,4-difluorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

C15H7F5N2O3S — CID 175191611

IUPAC3-[3-(3,4-difluorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESO=S(=O)(c1cccc(-c2noc(C(F)(F)F)n2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H7F5N2O3S/c16-11-5-4-10(7-12(11)17)26(23,24)9-3-1-2-8(6-9)13-21-14(25-22-13)15(18,19)20/h1-7H
InChIKeyFIQTWPFEFLBFPH-UHFFFAOYSA-N
MW390.29 g/mol
LogP3.87
Rot. Bonds3

About 3-[3-(3,4-difluorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

3-[3-(3,4-difluorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 175191611) has the molecular formula C15H7F5N2O3S and a molecular weight of 390.29 g/mol. Its IUPAC name is 3-[3-(3,4-difluorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-(3,4-difluorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID175191611
Molecular FormulaC15H7F5N2O3S
Molecular Weight390.29 g/mol
Exact Mass390.01
IUPAC Name3-[3-(3,4-difluorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESO=S(=O)(c1cccc(-c2noc(C(F)(F)F)n2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H7F5N2O3S/c16-11-5-4-10(7-12(11)17)26(23,24)9-3-1-2-8(6-9)13-21-14(25-22-13)15(18,19)20/h1-7H
InChIKeyFIQTWPFEFLBFPH-UHFFFAOYSA-N
XLogP3.87
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3-(3,4-difluorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 90464045
2-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanamine
CID 123768629
imino-methyl-oxo-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-λ6-sulfane
CID 139383494
2-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]acetic acid
CID 67881091
2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzaldehyde
CID 129270584
3-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 135370222
N-(3,4-difluorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 53042636
3-fluoro-N-[methyl-oxo-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-λ6-sulfanylidene]benzamide
CID 146264395
3-[4-[(2-methylphenyl)methylsulfonyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 159828383
3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]aniline
CID 175184749
(4-chlorophenyl)-methyl-oxo-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylimino]-λ6-sulfane
CID 155269165
1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]iminothiane 1-oxide
CID 152578545

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-difluorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[3-(3,4-difluorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 175191611) is 3-[3-(3,4-difluorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-(3,4-difluorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-(3,4-difluorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is O=S(=O)(c1cccc(-c2noc(C(F)(F)F)n2)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 3-[3-(3,4-difluorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is FIQTWPFEFLBFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F5N2O3S/c16-11-5-4-10(7-12(11)17)26(23,24)9-3-1-2-8(6-9)13-21-14(25-22-13)15(18,19)20/h1-7H.
What are the key properties of 3-[3-(3,4-difluorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-[3-(3,4-difluorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 390.29 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-difluorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 175191611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).