N-(5-iodo-2-pyridinyl)-2-methylsulfonylacetamide

C8H9IN2O3S — CID 65098654

IUPACN-(5-iodo-2-pyridinyl)-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)Nc1ccc(I)cn1
InChIInChI=1S/C8H9IN2O3S/c1-15(13,14)5-8(12)11-7-3-2-6(9)4-10-7/h2-4H,5H2,1H3,(H,10,11,12)
InChIKeyNEBSGKATXFCSEE-UHFFFAOYSA-N
MW340.14 g/mol
LogP0.67
Rot. Bonds3

About N-(5-iodo-2-pyridinyl)-2-methylsulfonylacetamide

N-(5-iodo-2-pyridinyl)-2-methylsulfonylacetamide (PubChem CID 65098654) has the molecular formula C8H9IN2O3S and a molecular weight of 340.14 g/mol. Its IUPAC name is N-(5-iodo-2-pyridinyl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(5-iodo-2-pyridinyl)-2-methylsulfonylacetamide
PubChem CID65098654
Molecular FormulaC8H9IN2O3S
Molecular Weight340.14 g/mol
Exact Mass339.94
IUPAC NameN-(5-iodo-2-pyridinyl)-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)Nc1ccc(I)cn1
InChIInChI=1S/C8H9IN2O3S/c1-15(13,14)5-8(12)11-7-3-2-6(9)4-10-7/h2-4H,5H2,1H3,(H,10,11,12)
InChIKeyNEBSGKATXFCSEE-UHFFFAOYSA-N
XLogP0.67
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodophenyl)-2-methylsulfonylacetamide
CID 47207302
3-(5-iodo-2-pyridinyl)-1,1-dimethylurea
CID 79153850
3,4,5-triethoxy-N-(5-iodo-2-pyridinyl)benzamide
CID 2232052
2-[cyclopropyl(ethyl)amino]-N-(5-iodo-2-pyridinyl)acetamide
CID 75438366
N-(5-iodo-2-pyridinyl)-3-phenoxypropanamide
CID 65098781
N-[2-[(5-iodo-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 65098946
2-(3-hydroxyphenyl)-N-(5-iodo-2-pyridinyl)acetamide
CID 65099226
N-(5-iodo-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 15944403
2-(dimethylsulfamoylamino)-5-iodopyridine
CID 65100815
5-iodo-2-(methylsulfonylmethyl)pyridine
CID 154468354
N-(5-iodo-2-pyridinyl)-5-methylfuran-2-carboxamide
CID 65098645
3-[(5-iodo-2-pyridinyl)amino]butan-2-one
CID 18755928

Frequently Asked Questions

What is the IUPAC name of N-(5-iodo-2-pyridinyl)-2-methylsulfonylacetamide?
The IUPAC name of N-(5-iodo-2-pyridinyl)-2-methylsulfonylacetamide (CID 65098654) is N-(5-iodo-2-pyridinyl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-(5-iodo-2-pyridinyl)-2-methylsulfonylacetamide?
The canonical SMILES for N-(5-iodo-2-pyridinyl)-2-methylsulfonylacetamide is CS(=O)(=O)CC(=O)Nc1ccc(I)cn1.
What is the InChIKey of N-(5-iodo-2-pyridinyl)-2-methylsulfonylacetamide?
The InChIKey is NEBSGKATXFCSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN2O3S/c1-15(13,14)5-8(12)11-7-3-2-6(9)4-10-7/h2-4H,5H2,1H3,(H,10,11,12).
What are the key properties of N-(5-iodo-2-pyridinyl)-2-methylsulfonylacetamide?
N-(5-iodo-2-pyridinyl)-2-methylsulfonylacetamide has a molecular weight of 340.14 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-2-pyridinyl)-2-methylsulfonylacetamide is sourced from PubChem (CID 65098654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).