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

C23H17F3N2O3S — CID 3758360

IUPAC2,5-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-sulfonamide
SMILESO=S(=O)(NCc1cccc(C(F)(F)F)c1)c1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C23H17F3N2O3S/c24-23(25,26)19-13-7-8-16(14-19)15-27-32(29,30)22-20(17-9-3-1-4-10-17)31-21(28-22)18-11-5-2-6-12-18/h1-14,27H,15H2
InChIKeyXNTJINGQYFBEMQ-UHFFFAOYSA-N
MW458.46 g/mol
LogP5.51
Rot. Bonds6

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

2,5-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-sulfonamide (PubChem CID 3758360) has the molecular formula C23H17F3N2O3S and a molecular weight of 458.46 g/mol. Its IUPAC name is 2,5-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-sulfonamide.

Molecular Properties

Compound Name2,5-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-sulfonamide
PubChem CID3758360
Molecular FormulaC23H17F3N2O3S
Molecular Weight458.46 g/mol
Exact Mass458.09
IUPAC Name2,5-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-sulfonamide
SMILESO=S(=O)(NCc1cccc(C(F)(F)F)c1)c1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C23H17F3N2O3S/c24-23(25,26)19-13-7-8-16(14-19)15-27-32(29,30)22-20(17-9-3-1-4-10-17)31-21(28-22)18-11-5-2-6-12-18/h1-14,27H,15H2
InChIKeyXNTJINGQYFBEMQ-UHFFFAOYSA-N
XLogP5.51
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.46
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-5-(trifluoromethyl)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 5100775
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
CID 43455863
3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-sulfonamide
CID 3863030
8-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide
CID 3868587
N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]benzenesulfonamide
CID 42470959
N-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 145434226
N-[(3-aminophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 75415095
N-[(3-bromophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 145434130
N-(2-methylpyrazol-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 25034963
3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 2442733
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
3,4-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 47009155

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-sulfonamide?
The IUPAC name of 2,5-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-sulfonamide (CID 3758360) is 2,5-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-sulfonamide.
What is the SMILES notation for 2,5-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-sulfonamide?
The canonical SMILES for 2,5-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-sulfonamide is O=S(=O)(NCc1cccc(C(F)(F)F)c1)c1nc(-c2ccccc2)oc1-c1ccccc1.
What is the InChIKey of 2,5-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-sulfonamide?
The InChIKey is XNTJINGQYFBEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O3S/c24-23(25,26)19-13-7-8-16(14-19)15-27-32(29,30)22-20(17-9-3-1-4-10-17)31-21(28-22)18-11-5-2-6-12-18/h1-14,27H,15H2.
What are the key properties of 2,5-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-sulfonamide?
2,5-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-sulfonamide has a molecular weight of 458.46 g/mol, XLogP of 5.51, 6 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]methyl]-1,3-oxazole-4-sulfonamide is sourced from PubChem (CID 3758360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).