2,5-diphenyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-sulfonamide

C22H15F3N2O3S — CID 3773626

IUPAC2,5-diphenyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-sulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C22H15F3N2O3S/c23-22(24,25)17-12-7-13-18(14-17)27-31(28,29)21-19(15-8-3-1-4-9-15)30-20(26-21)16-10-5-2-6-11-16/h1-14,27H
InChIKeyCBPPZKFFBLHYFY-UHFFFAOYSA-N
MW444.43 g/mol
LogP5.83
Rot. Bonds5

About 2,5-diphenyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-sulfonamide

2,5-diphenyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-sulfonamide (PubChem CID 3773626) has the molecular formula C22H15F3N2O3S and a molecular weight of 444.43 g/mol. Its IUPAC name is 2,5-diphenyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-sulfonamide.

Molecular Properties

Compound Name2,5-diphenyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-sulfonamide
PubChem CID3773626
Molecular FormulaC22H15F3N2O3S
Molecular Weight444.43 g/mol
Exact Mass444.08
IUPAC Name2,5-diphenyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-sulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C22H15F3N2O3S/c23-22(24,25)17-12-7-13-18(14-17)27-31(28,29)21-19(15-8-3-1-4-9-15)30-20(26-21)16-10-5-2-6-11-16/h1-14,27H
InChIKeyCBPPZKFFBLHYFY-UHFFFAOYSA-N
XLogP5.83
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.43
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-sulfonamide?
The IUPAC name of 2,5-diphenyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-sulfonamide (CID 3773626) is 2,5-diphenyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-sulfonamide.
What is the SMILES notation for 2,5-diphenyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-sulfonamide?
The canonical SMILES for 2,5-diphenyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-sulfonamide is O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1nc(-c2ccccc2)oc1-c1ccccc1.
What is the InChIKey of 2,5-diphenyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-sulfonamide?
The InChIKey is CBPPZKFFBLHYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O3S/c23-22(24,25)17-12-7-13-18(14-17)27-31(28,29)21-19(15-8-3-1-4-9-15)30-20(26-21)16-10-5-2-6-11-16/h1-14,27H.
What are the key properties of 2,5-diphenyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-sulfonamide?
2,5-diphenyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-sulfonamide has a molecular weight of 444.43 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-sulfonamide is sourced from PubChem (CID 3773626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).