N-[4-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide

C22H19Cl2NO3S — CID 71283712

IUPACN-[4-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3cc(Cl)ccc3Cl)cc2)cc1
InChIInChI=1S/C22H19Cl2NO3S/c1-2-29(27,28)19-10-3-15(4-11-19)13-22(26)25-18-8-5-16(6-9-18)20-14-17(23)7-12-21(20)24/h3-12,14H,2,13H2,1H3,(H,25,26)
InChIKeyJWDQSDWAKOULKG-UHFFFAOYSA-N
MW448.37 g/mol
LogP5.64
Rot. Bonds6

About N-[4-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide

N-[4-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 71283712) has the molecular formula C22H19Cl2NO3S and a molecular weight of 448.37 g/mol. Its IUPAC name is N-[4-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID71283712
Molecular FormulaC22H19Cl2NO3S
Molecular Weight448.37 g/mol
Exact Mass447.05
IUPAC NameN-[4-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3cc(Cl)ccc3Cl)cc2)cc1
InChIInChI=1S/C22H19Cl2NO3S/c1-2-29(27,28)19-10-3-15(4-11-19)13-22(26)25-18-8-5-16(6-9-18)20-14-17(23)7-12-21(20)24/h3-12,14H,2,13H2,1H3,(H,25,26)
InChIKeyJWDQSDWAKOULKG-UHFFFAOYSA-N
XLogP5.64
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.37
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-[4-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide (CID 71283712) is N-[4-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[4-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-[4-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3cc(Cl)ccc3Cl)cc2)cc1.
What is the InChIKey of N-[4-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is JWDQSDWAKOULKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2NO3S/c1-2-29(27,28)19-10-3-15(4-11-19)13-22(26)25-18-8-5-16(6-9-18)20-14-17(23)7-12-21(20)24/h3-12,14H,2,13H2,1H3,(H,25,26).
What are the key properties of N-[4-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
N-[4-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 448.37 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 71283712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).