4-[5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide

C16H9F5N2O3S — CID 10111819

IUPAC4-[5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)oc2-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H9F5N2O3S/c17-11-6-3-9(7-12(11)18)14-13(23-15(26-14)16(19,20)21)8-1-4-10(5-2-8)27(22,24)25/h1-7H,(H2,22,24,25)
InChIKeyPOGVADBJFPUHHJ-UHFFFAOYSA-N
MW404.32 g/mol
LogP3.95
Rot. Bonds3

About 4-[5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide

4-[5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide (PubChem CID 10111819) has the molecular formula C16H9F5N2O3S and a molecular weight of 404.32 g/mol. Its IUPAC name is 4-[5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide
PubChem CID10111819
Molecular FormulaC16H9F5N2O3S
Molecular Weight404.32 g/mol
Exact Mass404.03
IUPAC Name4-[5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)oc2-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H9F5N2O3S/c17-11-6-3-9(7-12(11)18)14-13(23-15(26-14)16(19,20)21)8-1-4-10(5-2-8)27(22,24)25/h1-7H,(H2,22,24,25)
InChIKeyPOGVADBJFPUHHJ-UHFFFAOYSA-N
XLogP3.95
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tilmacoxib
CID 159271
Oxazole, 2-methyl-4,5-diphenyl-
CID 139703
Benzamide, 3-(((1S)-2-(4,5-diphenyl-2-oxazolyl)-2-cyclohexen-1-yl)methyl)-N-((phenylmethyl)sulfonyl)-
CID 9894720
4-Cyclohexyl-5-(4-methanesulfonyl-phenyl)-2-methyl-oxazole
CID 9861854
Benzenesulfonamide,4-(4-cyclohexyl-2-methyl-5-oxazolyl)-
CID 9861888
4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2-methyl-oxazole
CID 9967345
5-(4-Methanesulfonyl-phenyl)-2-methyl-4-phenyl-oxazole
CID 10041271
5-(4-Methanesulfonyl-phenyl)-2-methyl-4-(5-methyl-thiophen-2-yl)-oxazole
CID 10088207
4-[4-(4-Fluoro-phenyl)-2-methyl-oxazol-5-yl]-benzenesulfonamide
CID 10936484
2-Fluoro-4-[4-(4-fluoro-phenyl)-2-methyl-oxazol-5-yl]-benzenesulfonamide
CID 11068088
4-Cyclohexyl-2-ethyl-5-(4-methanesulfonyl-phenyl)-oxazole
CID 15429218
Benzilam
CID 275930

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide (CID 10111819) is 4-[5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)oc2-c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 4-[5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide?
The InChIKey is POGVADBJFPUHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F5N2O3S/c17-11-6-3-9(7-12(11)18)14-13(23-15(26-14)16(19,20)21)8-1-4-10(5-2-8)27(22,24)25/h1-7H,(H2,22,24,25).
What are the key properties of 4-[5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide?
4-[5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide has a molecular weight of 404.32 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,4-difluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 10111819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).