N-(2-iodophenyl)-2-methylsulfonylacetamide

C9H10INO3S — CID 47207428

IUPACN-(2-iodophenyl)-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)Nc1ccccc1I
InChIInChI=1S/C9H10INO3S/c1-15(13,14)6-9(12)11-8-5-3-2-4-7(8)10/h2-5H,6H2,1H3,(H,11,12)
InChIKeyOYFAZDWLDOFWOC-UHFFFAOYSA-N
MW339.15 g/mol
LogP1.27
Rot. Bonds3

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

N-(2-iodophenyl)-2-methylsulfonylacetamide (PubChem CID 47207428) has the molecular formula C9H10INO3S and a molecular weight of 339.15 g/mol. Its IUPAC name is N-(2-iodophenyl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-2-methylsulfonylacetamide
PubChem CID47207428
Molecular FormulaC9H10INO3S
Molecular Weight339.15 g/mol
Exact Mass338.94
IUPAC NameN-(2-iodophenyl)-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)Nc1ccccc1I
InChIInChI=1S/C9H10INO3S/c1-15(13,14)6-9(12)11-8-5-3-2-4-7(8)10/h2-5H,6H2,1H3,(H,11,12)
InChIKeyOYFAZDWLDOFWOC-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'}

Analyze N-(2-iodophenyl)-2-methylsulfonylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluoro-2-iodophenyl)-2-methylsulfonylacetamide
CID 79766482
N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride
CID 119440105
3-amino-N-(2-iodophenyl)-3-methylbutanamide
CID 64684765
2-acetamido-N-(2-iodophenyl)acetamide
CID 60635742
N-(2-iodophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 8827070
N-(2-iodophenyl)-2-propan-2-yloxyacetamide
CID 47416512
tert-butyl-[2-(2-iodoanilino)-2-oxoethyl]azanium
CID 9119792
4-amino-N-(2-iodophenyl)butanamide
CID 28978404
N-(2-iodophenyl)-2-propylsulfanylacetamide
CID 87023608
2-iodo-N-(2-methylsulfonylethyl)aniline
CID 60917001
N-cyclopropyl-2-[[2-(2-iodoanilino)-2-oxoethyl]-methylamino]acetamide
CID 9053773
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-iodophenyl)butanamide
CID 2136188

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-2-methylsulfonylacetamide?
The IUPAC name of N-(2-iodophenyl)-2-methylsulfonylacetamide (CID 47207428) is N-(2-iodophenyl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-(2-iodophenyl)-2-methylsulfonylacetamide?
The canonical SMILES for N-(2-iodophenyl)-2-methylsulfonylacetamide is CS(=O)(=O)CC(=O)Nc1ccccc1I.
What is the InChIKey of N-(2-iodophenyl)-2-methylsulfonylacetamide?
The InChIKey is OYFAZDWLDOFWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO3S/c1-15(13,14)6-9(12)11-8-5-3-2-4-7(8)10/h2-5H,6H2,1H3,(H,11,12).
What are the key properties of N-(2-iodophenyl)-2-methylsulfonylacetamide?
N-(2-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-(2-iodophenyl)-2-methylsulfonylacetamide is sourced from PubChem (CID 47207428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).