N-(3,5-dichloro-4-phenylphenyl)-2-(4-methylsulfonylphenyl)acetamide

C21H17Cl2NO3S — CID 123708136

IUPACN-(3,5-dichloro-4-phenylphenyl)-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3)c(Cl)c2)cc1
InChIInChI=1S/C21H17Cl2NO3S/c1-28(26,27)17-9-7-14(8-10-17)11-20(25)24-16-12-18(22)21(19(23)13-16)15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,24,25)
InChIKeyZQLMSKGEFAARFL-UHFFFAOYSA-N
MW434.34 g/mol
LogP5.25
Rot. Bonds5

About N-(3,5-dichloro-4-phenylphenyl)-2-(4-methylsulfonylphenyl)acetamide

N-(3,5-dichloro-4-phenylphenyl)-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 123708136) has the molecular formula C21H17Cl2NO3S and a molecular weight of 434.34 g/mol. Its IUPAC name is N-(3,5-dichloro-4-phenylphenyl)-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-phenylphenyl)-2-(4-methylsulfonylphenyl)acetamide
PubChem CID123708136
Molecular FormulaC21H17Cl2NO3S
Molecular Weight434.34 g/mol
Exact Mass433.03
IUPAC NameN-(3,5-dichloro-4-phenylphenyl)-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3)c(Cl)c2)cc1
InChIInChI=1S/C21H17Cl2NO3S/c1-28(26,27)17-9-7-14(8-10-17)11-20(25)24-16-12-18(22)21(19(23)13-16)15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,24,25)
InChIKeyZQLMSKGEFAARFL-UHFFFAOYSA-N
XLogP5.25
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.34
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,5-dichloro-4-phenylphenyl)-2-(4-methylsulfonylphenyl)acetamide 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

N-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771339
N-(4-bromo-3-chlorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 71284029
N-[3-chloro-5-cyano-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-methylsulfonylphenyl)acetamide
CID 71284000
N-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771361
N-benzyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771278
N-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139632
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 4664996
N-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771370
N-(4-bromo-3-fluorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 71283763
2-chloro-4-methylsulfonyl-N-(2-phenylacetyl)benzamide
CID 174982154
2-(4-methylsulfonylphenyl)-N-(2-propan-2-ylphenyl)acetamide
CID 110771330
2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 26213278

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-phenylphenyl)-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-(3,5-dichloro-4-phenylphenyl)-2-(4-methylsulfonylphenyl)acetamide (CID 123708136) is N-(3,5-dichloro-4-phenylphenyl)-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(3,5-dichloro-4-phenylphenyl)-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-(3,5-dichloro-4-phenylphenyl)-2-(4-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3)c(Cl)c2)cc1.
What is the InChIKey of N-(3,5-dichloro-4-phenylphenyl)-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is ZQLMSKGEFAARFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NO3S/c1-28(26,27)17-9-7-14(8-10-17)11-20(25)24-16-12-18(22)21(19(23)13-16)15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,24,25).
What are the key properties of N-(3,5-dichloro-4-phenylphenyl)-2-(4-methylsulfonylphenyl)acetamide?
N-(3,5-dichloro-4-phenylphenyl)-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 434.34 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-phenylphenyl)-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 123708136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).