2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide

C15H14ClNO4S — CID 9137559

IUPAC2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClNO4S/c1-22(19,20)14-4-2-3-12(9-14)17-15(18)10-21-13-7-5-11(16)6-8-13/h2-9H,10H2,1H3,(H,17,18)
InChIKeyJRQJUSOTGZLUGK-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.76
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide

2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide (PubChem CID 9137559) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
PubChem CID9137559
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC Name2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClNO4S/c1-22(19,20)14-4-2-3-12(9-14)17-15(18)10-21-13-7-5-11(16)6-8-13/h2-9H,10H2,1H3,(H,17,18)
InChIKeyJRQJUSOTGZLUGK-UHFFFAOYSA-N
XLogP2.76
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylsulfonylphenyl)-2-phenoxyacetamide
CID 26722723
N-(3-methylsulfonylphenyl)-2-(4-phenylphenoxy)acetamide
CID 9137794
N-(3-methylsulfonylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 9137878
2-(3-acetamidophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9354192
[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 8982597
2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4884299
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 26592931
2-(4-chlorophenoxy)-N-(3-iodophenyl)acetamide
CID 7738324
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 4578573
N-(3-methylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 9354162
N-(3-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide
CID 2332931
2-(4-ethoxyphenyl)-N-(3-methylsulfonylphenyl)acetamide
CID 27334833

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide (CID 9137559) is 2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide?
The InChIKey is JRQJUSOTGZLUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c1-22(19,20)14-4-2-3-12(9-14)17-15(18)10-21-13-7-5-11(16)6-8-13/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide?
2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide has a molecular weight of 339.80 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 9137559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).