2-hydroxy-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide

C21H16F3NO4S — CID 159645389

IUPAC2-hydroxy-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC(=O)c2ccc(-c3ccccc3C(F)(F)F)cc2)cc1O
InChIInChI=1S/C21H16F3NO4S/c22-21(23,24)17-4-2-1-3-16(17)14-6-8-15(9-7-14)18(26)11-13-5-10-20(19(27)12-13)30(25,28)29/h1-10,12,27H,11H2,(H2,25,28,29)
InChIKeyMQWVKGOSNLFCPC-UHFFFAOYSA-N
MW435.42 g/mol
LogP4.15
Rot. Bonds5

About 2-hydroxy-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide

2-hydroxy-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide (PubChem CID 159645389) has the molecular formula C21H16F3NO4S and a molecular weight of 435.42 g/mol. Its IUPAC name is 2-hydroxy-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-hydroxy-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide
PubChem CID159645389
Molecular FormulaC21H16F3NO4S
Molecular Weight435.42 g/mol
Exact Mass435.08
IUPAC Name2-hydroxy-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC(=O)c2ccc(-c3ccccc3C(F)(F)F)cc2)cc1O
InChIInChI=1S/C21H16F3NO4S/c22-21(23,24)17-4-2-1-3-16(17)14-6-8-15(9-7-14)18(26)11-13-5-10-20(19(27)12-13)30(25,28)29/h1-10,12,27H,11H2,(H2,25,28,29)
InChIKeyMQWVKGOSNLFCPC-UHFFFAOYSA-N
XLogP4.15
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.42
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-Difluorophenyl)-[4-hydroxy-2-(4-methylsulfonylphenyl)phenyl]methanone
CID 141602551
3-[3-(3-hydroxyphenyl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 158141798
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
4-[2-[3-Hydroxy-4-[2-(trifluoromethyl)phenyl]phenyl]-2-oxoethyl]-2-methylbenzenesulfonamide
CID 162258266
2-Hydroxy-4-[2-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-2-oxoethyl]benzenesulfonamide
CID 158971715
1-[4-[2-Hydroxy-6-(4-methylsulfonylphenyl)phenyl]phenyl]ethanone
CID 174431902

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide?
The IUPAC name of 2-hydroxy-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide (CID 159645389) is 2-hydroxy-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-hydroxy-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 2-hydroxy-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CC(=O)c2ccc(-c3ccccc3C(F)(F)F)cc2)cc1O.
What is the InChIKey of 2-hydroxy-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide?
The InChIKey is MQWVKGOSNLFCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO4S/c22-21(23,24)17-4-2-1-3-16(17)14-6-8-15(9-7-14)18(26)11-13-5-10-20(19(27)12-13)30(25,28)29/h1-10,12,27H,11H2,(H2,25,28,29).
What are the key properties of 2-hydroxy-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide?
2-hydroxy-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide has a molecular weight of 435.42 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 159645389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).