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

C9H9BrClNO3S — CID 60651950

IUPAC2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)CBr)c1
InChIInChI=1S/C9H9BrClNO3S/c1-16(14,15)6-2-3-7(11)8(4-6)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13)
InChIKeyZPTUIROUVKRJBV-UHFFFAOYSA-N
MW326.60 g/mol
LogP2.08
Rot. Bonds3

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

2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide (PubChem CID 60651950) has the molecular formula C9H9BrClNO3S and a molecular weight of 326.60 g/mol. Its IUPAC name is 2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide
PubChem CID60651950
Molecular FormulaC9H9BrClNO3S
Molecular Weight326.60 g/mol
Exact Mass324.92
IUPAC Name2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)CBr)c1
InChIInChI=1S/C9H9BrClNO3S/c1-16(14,15)6-2-3-7(11)8(4-6)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13)
InChIKeyZPTUIROUVKRJBV-UHFFFAOYSA-N
XLogP2.08
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.60
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloro-5-methylsulfonylanilino)-3-oxopropanoic acid
CID 62232235
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CID 54924414
N-(2-chloro-5-methylsulfonylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950284
2-bromo-N-(2-chloro-5-methylphenyl)acetamide
CID 82111012
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2-bromo-N-(2-chloro-5-methylsulfonylphenyl)propanamide
CID 107902980
N-(2-chloro-5-methylsulfonylphenyl)-2,2-difluoroacetamide
CID 113218224
N-(2-chloro-5-methylsulfonylphenyl)-2-piperazin-1-ylacetamide
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N-(2-chloro-5-methylsulfonylphenyl)benzamide
CID 8913636
(2S)-2-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide
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CID 17418585

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide (CID 60651950) is 2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(Cl)c(NC(=O)CBr)c1.
What is the InChIKey of 2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide?
The InChIKey is ZPTUIROUVKRJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO3S/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-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide?
2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide has a molecular weight of 326.60 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 60651950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).