2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide

C16H16FIN2O3S — CID 100557424

IUPAC2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)Cc1ccccc1F
InChIInChI=1S/C16H16FIN2O3S/c1-24(22,23)20(10-12-4-2-3-5-15(12)17)11-16(21)19-14-8-6-13(18)7-9-14/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyFIQORPBWTHREAK-UHFFFAOYSA-N
MW462.28 g/mol
LogP2.83
Rot. Bonds6

About 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide

2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide (PubChem CID 100557424) has the molecular formula C16H16FIN2O3S and a molecular weight of 462.28 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide
PubChem CID100557424
Molecular FormulaC16H16FIN2O3S
Molecular Weight462.28 g/mol
Exact Mass461.99
IUPAC Name2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)Cc1ccccc1F
InChIInChI=1S/C16H16FIN2O3S/c1-24(22,23)20(10-12-4-2-3-5-15(12)17)11-16(21)19-14-8-6-13(18)7-9-14/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyFIQORPBWTHREAK-UHFFFAOYSA-N
XLogP2.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide 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

2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide
CID 1315450
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 100516824
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113150969
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide
CID 2301952
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100536181
N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151204
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 126058172
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 100560696
2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-phenylacetamide
CID 113151180
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide
CID 100717418
N-(2-bicyclo[2.2.1]heptanyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]acetamide
CID 133199747
2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126095136

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide (CID 100557424) is 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide?
The InChIKey is FIQORPBWTHREAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FIN2O3S/c1-24(22,23)20(10-12-4-2-3-5-15(12)17)11-16(21)19-14-8-6-13(18)7-9-14/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide?
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide has a molecular weight of 462.28 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 100557424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).