2-[(2-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)acetamide

C16H16ClNO3S — CID 7731405

IUPAC2-[(2-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CS(=O)(=O)Cc2ccccc2Cl)c1
InChIInChI=1S/C16H16ClNO3S/c1-12-5-4-7-14(9-12)18-16(19)11-22(20,21)10-13-6-2-3-8-15(13)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyISMKMUFNLPEACV-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.20
Rot. Bonds5

About 2-[(2-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)acetamide

2-[(2-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)acetamide (PubChem CID 7731405) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)acetamide
PubChem CID7731405
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name2-[(2-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CS(=O)(=O)Cc2ccccc2Cl)c1
InChIInChI=1S/C16H16ClNO3S/c1-12-5-4-7-14(9-12)18-16(19)11-22(20,21)10-13-6-2-3-8-15(13)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyISMKMUFNLPEACV-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide
CID 86925990
N-(3-methylphenyl)-2-prop-2-ynylsulfonylacetamide
CID 82368875
4-[[2-(3-methylanilino)-2-oxoethyl]sulfonylmethyl]benzoate
CID 7731412
N-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetamide
CID 39162194
N'-(2,6-dichlorophenyl)-N-(3-methylphenyl)propanediamide
CID 108953078
N-(2-aminoethyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide
CID 103291290
2-(2-chloro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 51343168
ethyl 3-[[2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetyl]amino]benzoate
CID 7732178
N-(3-acetamidophenyl)-2-(2-chlorophenyl)acetamide
CID 7914432
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(3-methylphenyl)acetamide
CID 86989468
[2-(3-methylanilino)-2-oxoethyl] 2-chlorobenzoate
CID 2624326
2-(2,4-dimethylphenyl)sulfonyl-N-(3-methylphenyl)acetamide
CID 86992898

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)acetamide (CID 7731405) is 2-[(2-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CS(=O)(=O)Cc2ccccc2Cl)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)acetamide?
The InChIKey is ISMKMUFNLPEACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c1-12-5-4-7-14(9-12)18-16(19)11-22(20,21)10-13-6-2-3-8-15(13)17/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-[(2-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)acetamide?
2-[(2-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)acetamide has a molecular weight of 337.83 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 7731405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).