N-[3-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide

C23H19ClF3NO3S — CID 71283813

IUPACN-[3-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3C(F)(F)F)c(Cl)c2)cc1
InChIInChI=1S/C23H19ClF3NO3S/c1-2-32(30,31)17-10-7-15(8-11-17)13-22(29)28-16-9-12-19(21(24)14-16)18-5-3-4-6-20(18)23(25,26)27/h3-12,14H,2,13H2,1H3,(H,28,29)
InChIKeyWYXIDCLTNIMPSC-UHFFFAOYSA-N
MW481.92 g/mol
LogP6.00
Rot. Bonds6

About N-[3-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide

N-[3-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 71283813) has the molecular formula C23H19ClF3NO3S and a molecular weight of 481.92 g/mol. Its IUPAC name is N-[3-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID71283813
Molecular FormulaC23H19ClF3NO3S
Molecular Weight481.92 g/mol
Exact Mass481.07
IUPAC NameN-[3-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3C(F)(F)F)c(Cl)c2)cc1
InChIInChI=1S/C23H19ClF3NO3S/c1-2-32(30,31)17-10-7-15(8-11-17)13-22(29)28-16-9-12-19(21(24)14-16)18-5-3-4-6-20(18)23(25,26)27/h3-12,14H,2,13H2,1H3,(H,28,29)
InChIKeyWYXIDCLTNIMPSC-UHFFFAOYSA-N
XLogP6.00
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.92
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71285829
2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-N-phenylpropanamide
CID 134821990
2-(4-ethylsulfonylphenyl)-N-(4-phenyl-3-propan-2-ylphenyl)acetamide
CID 118707356
N-[4-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71283712
2-(4-ethylsulfonylphenyl)-N-[4-phenyl-3-(trifluoromethyl)phenyl]acetamide
CID 71285767
N-[3-chloro-4-(2-chlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71285798
N-[3,5-dichloro-4-(2-cyanophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71285802
N-(3-chloro-4-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 71285820
N-[3,5-dichloro-4-(2-cyano-4-fluorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71285944
N-[3-chloro-4-[4-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71286169
N-[3-chloro-4-[2-[(dimethylamino)methyl]phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71289906
2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]acetamide
CID 118395947

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-[3-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide (CID 71283813) is N-[3-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[3-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-[3-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3C(F)(F)F)c(Cl)c2)cc1.
What is the InChIKey of N-[3-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is WYXIDCLTNIMPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3NO3S/c1-2-32(30,31)17-10-7-15(8-11-17)13-22(29)28-16-9-12-19(21(24)14-16)18-5-3-4-6-20(18)23(25,26)27/h3-12,14H,2,13H2,1H3,(H,28,29).
What are the key properties of N-[3-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
N-[3-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 481.92 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 71283813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).