2-(3,4-dichlorophenyl)-N-methylsulfonylacetamide

C9H9Cl2NO3S — CID 47269243

IUPAC2-(3,4-dichlorophenyl)-N-methylsulfonylacetamide
SMILESCS(=O)(=O)NC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H9Cl2NO3S/c1-16(14,15)12-9(13)5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3,(H,12,13)
InChIKeyMIEFPIATJPMNOQ-UHFFFAOYSA-N
MW282.15 g/mol
LogP1.61
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-N-methylsulfonylacetamide

2-(3,4-dichlorophenyl)-N-methylsulfonylacetamide (PubChem CID 47269243) has the molecular formula C9H9Cl2NO3S and a molecular weight of 282.15 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-methylsulfonylacetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-methylsulfonylacetamide
PubChem CID47269243
Molecular FormulaC9H9Cl2NO3S
Molecular Weight282.15 g/mol
Exact Mass280.97
IUPAC Name2-(3,4-dichlorophenyl)-N-methylsulfonylacetamide
SMILESCS(=O)(=O)NC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H9Cl2NO3S/c1-16(14,15)12-9(13)5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3,(H,12,13)
InChIKeyMIEFPIATJPMNOQ-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-methylsulfonylacetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-methylsulfonylacetamide (CID 47269243) is 2-(3,4-dichlorophenyl)-N-methylsulfonylacetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-methylsulfonylacetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-methylsulfonylacetamide is CS(=O)(=O)NC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-methylsulfonylacetamide?
The InChIKey is MIEFPIATJPMNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO3S/c1-16(14,15)12-9(13)5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of 2-(3,4-dichlorophenyl)-N-methylsulfonylacetamide?
2-(3,4-dichlorophenyl)-N-methylsulfonylacetamide has a molecular weight of 282.15 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-methylsulfonylacetamide is sourced from PubChem (CID 47269243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).