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

C23H17F3N2O4S — CID 5100775

IUPACN-[2-methoxy-5-(trifluoromethyl)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide
SMILESCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C23H17F3N2O4S/c1-31-19-13-12-17(23(24,25)26)14-18(19)28-33(29,30)22-20(15-8-4-2-5-9-15)32-21(27-22)16-10-6-3-7-11-16/h2-14,28H,1H3
InChIKeyXFVOVDGEHIBLAD-UHFFFAOYSA-N
MW474.46 g/mol
LogP5.84
Rot. Bonds6

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

N-[2-methoxy-5-(trifluoromethyl)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide (PubChem CID 5100775) has the molecular formula C23H17F3N2O4S and a molecular weight of 474.46 g/mol. Its IUPAC name is N-[2-methoxy-5-(trifluoromethyl)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(trifluoromethyl)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide
PubChem CID5100775
Molecular FormulaC23H17F3N2O4S
Molecular Weight474.46 g/mol
Exact Mass474.09
IUPAC NameN-[2-methoxy-5-(trifluoromethyl)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide
SMILESCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C23H17F3N2O4S/c1-31-19-13-12-17(23(24,25)26)14-18(19)28-33(29,30)22-20(15-8-4-2-5-9-15)32-21(27-22)16-10-6-3-7-11-16/h2-14,28H,1H3
InChIKeyXFVOVDGEHIBLAD-UHFFFAOYSA-N
XLogP5.84
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.46
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(trifluoromethyl)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The IUPAC name of N-[2-methoxy-5-(trifluoromethyl)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide (CID 5100775) is N-[2-methoxy-5-(trifluoromethyl)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide.
What is the SMILES notation for N-[2-methoxy-5-(trifluoromethyl)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The canonical SMILES for N-[2-methoxy-5-(trifluoromethyl)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide is COc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccccc1.
What is the InChIKey of N-[2-methoxy-5-(trifluoromethyl)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The InChIKey is XFVOVDGEHIBLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O4S/c1-31-19-13-12-17(23(24,25)26)14-18(19)28-33(29,30)22-20(15-8-4-2-5-9-15)32-21(27-22)16-10-6-3-7-11-16/h2-14,28H,1H3.
What are the key properties of N-[2-methoxy-5-(trifluoromethyl)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
N-[2-methoxy-5-(trifluoromethyl)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide has a molecular weight of 474.46 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(trifluoromethyl)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide is sourced from PubChem (CID 5100775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).