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

C22H15F3N2O3S — CID 19258749

IUPAC4-(5-phenyl-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C22H15F3N2O3S/c23-22(24,25)17-7-4-8-18(13-17)27-31(28,29)19-11-9-16(10-12-19)21-26-14-20(30-21)15-5-2-1-3-6-15/h1-14,27H
InChIKeyOFYVXSAJRPUDDH-UHFFFAOYSA-N
MW444.43 g/mol
LogP5.83
Rot. Bonds5

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

4-(5-phenyl-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 19258749) has the molecular formula C22H15F3N2O3S and a molecular weight of 444.43 g/mol. Its IUPAC name is 4-(5-phenyl-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(5-phenyl-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID19258749
Molecular FormulaC22H15F3N2O3S
Molecular Weight444.43 g/mol
Exact Mass444.08
IUPAC Name4-(5-phenyl-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C22H15F3N2O3S/c23-22(24,25)17-7-4-8-18(13-17)27-31(28,29)19-11-9-16(10-12-19)21-26-14-20(30-21)15-5-2-1-3-6-15/h1-14,27H
InChIKeyOFYVXSAJRPUDDH-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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Related Compounds

N-[4-(methylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258675
4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzamide
CID 19258755
5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 102265146
4-phenoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3478087
N-(5-iodo-2-pyridinyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258782
N-(4-hydroxy-2-methylphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258754
2-methylpropyl 4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzoate
CID 19258628
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
N-butan-2-yl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258693
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3860471
N-(4-chloro-2-nitrophenyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258756
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-(5-phenyl-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 19258749) is 4-(5-phenyl-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(5-phenyl-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(5-phenyl-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2ncc(-c3ccccc3)o2)cc1.
What is the InChIKey of 4-(5-phenyl-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is OFYVXSAJRPUDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O3S/c23-22(24,25)17-7-4-8-18(13-17)27-31(28,29)19-11-9-16(10-12-19)21-26-14-20(30-21)15-5-2-1-3-6-15/h1-14,27H.
What are the key properties of 4-(5-phenyl-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
4-(5-phenyl-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide 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 4-(5-phenyl-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 19258749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).