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

C22H18F3NO3S — CID 146699075

IUPAC2-methyl-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide
SMILESCc1cc(CC(=O)c2ccc(-c3ccccc3C(F)(F)F)cc2)ccc1S(N)(=O)=O
InChIInChI=1S/C22H18F3NO3S/c1-14-12-15(6-11-21(14)30(26,28)29)13-20(27)17-9-7-16(8-10-17)18-4-2-3-5-19(18)22(23,24)25/h2-12H,13H2,1H3,(H2,26,28,29)
InChIKeyQSGIIQZANQDARL-UHFFFAOYSA-N
MW433.45 g/mol
LogP4.75
Rot. Bonds5

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

2-methyl-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide (PubChem CID 146699075) has the molecular formula C22H18F3NO3S and a molecular weight of 433.45 g/mol. Its IUPAC name is 2-methyl-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide
PubChem CID146699075
Molecular FormulaC22H18F3NO3S
Molecular Weight433.45 g/mol
Exact Mass433.10
IUPAC Name2-methyl-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide
SMILESCc1cc(CC(=O)c2ccc(-c3ccccc3C(F)(F)F)cc2)ccc1S(N)(=O)=O
InChIInChI=1S/C22H18F3NO3S/c1-14-12-15(6-11-21(14)30(26,28)29)13-20(27)17-9-7-16(8-10-17)18-4-2-3-5-19(18)22(23,24)25/h2-12H,13H2,1H3,(H2,26,28,29)
InChIKeyQSGIIQZANQDARL-UHFFFAOYSA-N
XLogP4.75
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide?
The IUPAC name of 2-methyl-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide (CID 146699075) is 2-methyl-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide is Cc1cc(CC(=O)c2ccc(-c3ccccc3C(F)(F)F)cc2)ccc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide?
The InChIKey is QSGIIQZANQDARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO3S/c1-14-12-15(6-11-21(14)30(26,28)29)13-20(27)17-9-7-16(8-10-17)18-4-2-3-5-19(18)22(23,24)25/h2-12H,13H2,1H3,(H2,26,28,29).
What are the key properties of 2-methyl-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide?
2-methyl-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide has a molecular weight of 433.45 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 146699075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).