2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide

C16H16ClNO3S — CID 110778659

IUPAC2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO3S/c1-2-22(20,21)15-8-6-14(7-9-15)18-16(19)11-12-4-3-5-13(17)10-12/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyBYTNGWZZHNZHSE-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.31
Rot. Bonds5

About 2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide

2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide (PubChem CID 110778659) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide
PubChem CID110778659
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO3S/c1-2-22(20,21)15-8-6-14(7-9-15)18-16(19)11-12-4-3-5-13(17)10-12/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyBYTNGWZZHNZHSE-UHFFFAOYSA-N
XLogP3.31
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(3-chlorophenyl)acetyl]amino]benzamide
CID 56922735
2-(3-chlorophenyl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide
CID 76945550
N-[4-[[2-(3-chlorophenyl)acetyl]amino]phenyl]-2-cyanoacetamide
CID 108922593
N-[4-(3-chlorophenyl)-3-phenoxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 72545950
N-[3-(chloromethyl)phenyl]-2-(3-chlorophenyl)acetamide
CID 113270904
N-[4-(3-chlorophenyl)-3-(2-fluorophenoxy)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 72544310
N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110423914
2-(4-ethylsulfonylphenyl)-N-[4-(hydroxyiminomethyl)phenyl]acetamide
CID 175369454
N-(3-acetamido-4-methoxyphenyl)-2-(3-chlorophenyl)acetamide
CID 110778435
N-(3-chlorophenyl)-2-(3-methylphenyl)acetamide
CID 9497443
2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide
CID 18587060
N-[4-(2,5-dichlorophenyl)-3-(trifluoromethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71284005

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide (CID 110778659) is 2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(NC(=O)Cc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is BYTNGWZZHNZHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c1-2-22(20,21)15-8-6-14(7-9-15)18-16(19)11-12-4-3-5-13(17)10-12/h3-10H,2,11H2,1H3,(H,18,19).
What are the key properties of 2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide?
2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 337.83 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 110778659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).