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

C9H9FINO3S — CID 79766482

IUPACN-(4-fluoro-2-iodophenyl)-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C9H9FINO3S/c1-16(14,15)5-9(13)12-8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3,(H,12,13)
InChIKeyDOYJZJKMYMLCLR-UHFFFAOYSA-N
MW357.14 g/mol
LogP1.41
Rot. Bonds3

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

N-(4-fluoro-2-iodophenyl)-2-methylsulfonylacetamide (PubChem CID 79766482) has the molecular formula C9H9FINO3S and a molecular weight of 357.14 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)-2-methylsulfonylacetamide
PubChem CID79766482
Molecular FormulaC9H9FINO3S
Molecular Weight357.14 g/mol
Exact Mass356.93
IUPAC NameN-(4-fluoro-2-iodophenyl)-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C9H9FINO3S/c1-16(14,15)5-9(13)12-8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3,(H,12,13)
InChIKeyDOYJZJKMYMLCLR-UHFFFAOYSA-N
XLogP1.41
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.14
LogP ≤ 51.41
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-fluoro-2-iodophenyl)-2-sulfanylacetamide
CID 79771427
N-(2-iodophenyl)-2-methylsulfonylacetamide
CID 47207428
N-(4-fluoro-2-iodophenyl)-3-(methylamino)propanamide
CID 79766038
4,4,4-trifluoro-N-(4-fluoro-2-iodophenyl)butanamide
CID 79766480
N-(4-fluoro-2-iodophenyl)-4-methylsulfonylbenzamide
CID 79758879
N-(4-fluoro-2-iodophenyl)-2-(prop-2-ynylamino)acetamide
CID 79767023
N-(4-fluoro-2-iodophenyl)-2-(2-methoxyethoxy)acetamide
CID 103737178
N-(4-fluoro-2-iodophenyl)-1-methylsulfonylmethanesulfonamide
CID 82843139
2-(4-bromophenyl)-N-(4-fluoro-2-iodophenyl)acetamide
CID 79765971
N-(4-fluoro-2-iodophenyl)-2-(4-methoxyphenyl)acetamide
CID 79767117
N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylacetamide
CID 103097646
N-(4-fluoro-2-iodophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79766531

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)-2-methylsulfonylacetamide?
The IUPAC name of N-(4-fluoro-2-iodophenyl)-2-methylsulfonylacetamide (CID 79766482) is N-(4-fluoro-2-iodophenyl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)-2-methylsulfonylacetamide?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)-2-methylsulfonylacetamide is CS(=O)(=O)CC(=O)Nc1ccc(F)cc1I.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)-2-methylsulfonylacetamide?
The InChIKey is DOYJZJKMYMLCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FINO3S/c1-16(14,15)5-9(13)12-8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of N-(4-fluoro-2-iodophenyl)-2-methylsulfonylacetamide?
N-(4-fluoro-2-iodophenyl)-2-methylsulfonylacetamide has a molecular weight of 357.14 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)-2-methylsulfonylacetamide is sourced from PubChem (CID 79766482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).