N-(4-iodophenyl)-2-methylsulfonylacetamide

C9H10INO3S — CID 47207302

IUPACN-(4-iodophenyl)-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C9H10INO3S/c1-15(13,14)6-9(12)11-8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H,11,12)
InChIKeyOYUMSZBXSNBLOF-UHFFFAOYSA-N
MW339.15 g/mol
LogP1.27
Rot. Bonds3

About N-(4-iodophenyl)-2-methylsulfonylacetamide

N-(4-iodophenyl)-2-methylsulfonylacetamide (PubChem CID 47207302) has the molecular formula C9H10INO3S and a molecular weight of 339.15 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-methylsulfonylacetamide
PubChem CID47207302
Molecular FormulaC9H10INO3S
Molecular Weight339.15 g/mol
Exact Mass338.94
IUPAC NameN-(4-iodophenyl)-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C9H10INO3S/c1-15(13,14)6-9(12)11-8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H,11,12)
InChIKeyOYUMSZBXSNBLOF-UHFFFAOYSA-N
XLogP1.27
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminophenyl)-2-methylsulfonylacetamide
CID 61025052
4-[(2-methylsulfonylacetyl)amino]benzoic acid
CID 60693118
N-[4-(2-chloroethyl)phenyl]-2-methylsulfonylacetamide
CID 114299169
N,N'-bis(4-iodophenyl)butanediamide
CID 4250378
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methylsulfonylacetamide
CID 77015312
1-[4-[(2-methylsulfonylacetyl)amino]phenyl]cyclopropane-1-carboxylic acid
CID 115912899
N-(2-iodophenyl)-2-methylsulfonylacetamide
CID 47207428
N-(4-iodophenyl)acetamide
CID 12147
N,N'-bis(4-iodophenyl)nonanediamide
CID 4507998
N-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 2942786
2-acetamido-N-(4-iodophenyl)acetamide
CID 60636455
N-(4-bromo-3-fluorophenyl)-2-methylsulfonylacetamide
CID 65429192

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-methylsulfonylacetamide?
The IUPAC name of N-(4-iodophenyl)-2-methylsulfonylacetamide (CID 47207302) is N-(4-iodophenyl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-(4-iodophenyl)-2-methylsulfonylacetamide?
The canonical SMILES for N-(4-iodophenyl)-2-methylsulfonylacetamide is CS(=O)(=O)CC(=O)Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-2-methylsulfonylacetamide?
The InChIKey is OYUMSZBXSNBLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO3S/c1-15(13,14)6-9(12)11-8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H,11,12).
What are the key properties of N-(4-iodophenyl)-2-methylsulfonylacetamide?
N-(4-iodophenyl)-2-methylsulfonylacetamide has a molecular weight of 339.15 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2-methylsulfonylacetamide is sourced from PubChem (CID 47207302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).