2-chloro-N-(2-chloro-5-methylsulfonylphenyl)acetamide

C9H9Cl2NO3S — CID 2566083

IUPAC2-chloro-N-(2-chloro-5-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)CCl)c1
InChIInChI=1S/C9H9Cl2NO3S/c1-16(14,15)6-2-3-7(11)8(4-6)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13)
InChIKeyQDGLPAWGHCOJBG-UHFFFAOYSA-N
MW282.15 g/mol
LogP1.92
Rot. Bonds3

About 2-chloro-N-(2-chloro-5-methylsulfonylphenyl)acetamide

2-chloro-N-(2-chloro-5-methylsulfonylphenyl)acetamide (PubChem CID 2566083) has the molecular formula C9H9Cl2NO3S and a molecular weight of 282.15 g/mol. Its IUPAC name is 2-chloro-N-(2-chloro-5-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloro-5-methylsulfonylphenyl)acetamide
PubChem CID2566083
Molecular FormulaC9H9Cl2NO3S
Molecular Weight282.15 g/mol
Exact Mass280.97
IUPAC Name2-chloro-N-(2-chloro-5-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)CCl)c1
InChIInChI=1S/C9H9Cl2NO3S/c1-16(14,15)6-2-3-7(11)8(4-6)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13)
InChIKeyQDGLPAWGHCOJBG-UHFFFAOYSA-N
XLogP1.92
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloro-5-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(2-chloro-5-methylsulfonylphenyl)acetamide (CID 2566083) is 2-chloro-N-(2-chloro-5-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-chloro-5-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-chloro-5-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(Cl)c(NC(=O)CCl)c1.
What is the InChIKey of 2-chloro-N-(2-chloro-5-methylsulfonylphenyl)acetamide?
The InChIKey is QDGLPAWGHCOJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO3S/c1-16(14,15)6-2-3-7(11)8(4-6)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of 2-chloro-N-(2-chloro-5-methylsulfonylphenyl)acetamide?
2-chloro-N-(2-chloro-5-methylsulfonylphenyl)acetamide has a molecular weight of 282.15 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloro-5-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 2566083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).