4-[2-[3-hydroxy-4-[2-(trifluoromethyl)phenyl]phenyl]-2-oxoethyl]-2-methylbenzenesulfonamide

C22H18F3NO4S — CID 162258266

IUPAC4-[2-[3-hydroxy-4-[2-(trifluoromethyl)phenyl]phenyl]-2-oxoethyl]-2-methylbenzenesulfonamide
SMILESCc1cc(CC(=O)c2ccc(-c3ccccc3C(F)(F)F)c(O)c2)ccc1S(N)(=O)=O
InChIInChI=1S/C22H18F3NO4S/c1-13-10-14(6-9-21(13)31(26,29)30)11-19(27)15-7-8-17(20(28)12-15)16-4-2-3-5-18(16)22(23,24)25/h2-10,12,28H,11H2,1H3,(H2,26,29,30)
InChIKeyZYWQDLOJPNYABF-UHFFFAOYSA-N
MW449.45 g/mol
LogP4.46
Rot. Bonds5

About 4-[2-[3-hydroxy-4-[2-(trifluoromethyl)phenyl]phenyl]-2-oxoethyl]-2-methylbenzenesulfonamide

4-[2-[3-hydroxy-4-[2-(trifluoromethyl)phenyl]phenyl]-2-oxoethyl]-2-methylbenzenesulfonamide (PubChem CID 162258266) has the molecular formula C22H18F3NO4S and a molecular weight of 449.45 g/mol. Its IUPAC name is 4-[2-[3-hydroxy-4-[2-(trifluoromethyl)phenyl]phenyl]-2-oxoethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-[3-hydroxy-4-[2-(trifluoromethyl)phenyl]phenyl]-2-oxoethyl]-2-methylbenzenesulfonamide
PubChem CID162258266
Molecular FormulaC22H18F3NO4S
Molecular Weight449.45 g/mol
Exact Mass449.09
IUPAC Name4-[2-[3-hydroxy-4-[2-(trifluoromethyl)phenyl]phenyl]-2-oxoethyl]-2-methylbenzenesulfonamide
SMILESCc1cc(CC(=O)c2ccc(-c3ccccc3C(F)(F)F)c(O)c2)ccc1S(N)(=O)=O
InChIInChI=1S/C22H18F3NO4S/c1-13-10-14(6-9-21(13)31(26,29)30)11-19(27)15-7-8-17(20(28)12-15)16-4-2-3-5-18(16)22(23,24)25/h2-10,12,28H,11H2,1H3,(H2,26,29,30)
InChIKeyZYWQDLOJPNYABF-UHFFFAOYSA-N
XLogP4.46
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.45
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[3-hydroxy-4-[2-(trifluoromethyl)phenyl]phenyl]-2-oxoethyl]-2-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Lll-12
CID 46911017
5-(4-Fluorobenzoyl)-6-hydroxy-2-naphthalenesulfonamide
CID 22125720
5-(2-Fluorobenzoyl)-6-hydroxynaphthalene-2-sulfonamide
CID 22125725
[5-[2-(3-Methyl-4-sulfamoylphenyl)acetyl]-2-[2-(trifluoromethyl)phenyl]phenyl] acetate
CID 147159855
4-[2-[3-Ethyl-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-oxoethyl]benzenesulfonamide
CID 157680878
2-Methyl-4-[2-oxo-2-[3-(2,2,2-trifluoro-1-hydroxyethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide
CID 158112785
4-[2-[3-Ethoxy-4-[2-(trifluoromethyl)phenyl]phenyl]-2-oxoethyl]-2-methylbenzenesulfonamide
CID 158792749
2-Hydroxy-4-[2-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-2-oxoethyl]benzenesulfonamide;2-methyl-4-[2-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-2-oxoethyl]benzenesulfonamide
CID 158971714
2-Hydroxy-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide
CID 159645389
4-[2-[3-Butyl-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-oxoethyl]-2-methylbenzenesulfonamide
CID 159818443
4-[2-[3-(Hydroxymethyl)-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-oxoethyl]benzenesulfonamide
CID 160113158
2-Methyl-4-[2-oxo-2-[3-phenylmethoxy-4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide
CID 160263520

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-hydroxy-4-[2-(trifluoromethyl)phenyl]phenyl]-2-oxoethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-[2-[3-hydroxy-4-[2-(trifluoromethyl)phenyl]phenyl]-2-oxoethyl]-2-methylbenzenesulfonamide (CID 162258266) is 4-[2-[3-hydroxy-4-[2-(trifluoromethyl)phenyl]phenyl]-2-oxoethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-[2-[3-hydroxy-4-[2-(trifluoromethyl)phenyl]phenyl]-2-oxoethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-[2-[3-hydroxy-4-[2-(trifluoromethyl)phenyl]phenyl]-2-oxoethyl]-2-methylbenzenesulfonamide is Cc1cc(CC(=O)c2ccc(-c3ccccc3C(F)(F)F)c(O)c2)ccc1S(N)(=O)=O.
What is the InChIKey of 4-[2-[3-hydroxy-4-[2-(trifluoromethyl)phenyl]phenyl]-2-oxoethyl]-2-methylbenzenesulfonamide?
The InChIKey is ZYWQDLOJPNYABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO4S/c1-13-10-14(6-9-21(13)31(26,29)30)11-19(27)15-7-8-17(20(28)12-15)16-4-2-3-5-18(16)22(23,24)25/h2-10,12,28H,11H2,1H3,(H2,26,29,30).
What are the key properties of 4-[2-[3-hydroxy-4-[2-(trifluoromethyl)phenyl]phenyl]-2-oxoethyl]-2-methylbenzenesulfonamide?
4-[2-[3-hydroxy-4-[2-(trifluoromethyl)phenyl]phenyl]-2-oxoethyl]-2-methylbenzenesulfonamide has a molecular weight of 449.45 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-hydroxy-4-[2-(trifluoromethyl)phenyl]phenyl]-2-oxoethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 162258266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).