N-(5-fluoro-4-iodo-2-pyridinyl)ethanesulfonamide

C7H8FIN2O2S — CID 155434794

IUPACN-(5-fluoro-4-iodo-2-pyridinyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(I)c(F)cn1
InChIInChI=1S/C7H8FIN2O2S/c1-2-14(12,13)11-7-3-6(9)5(8)4-10-7/h3-4H,2H2,1H3,(H,10,11)
InChIKeyVIALCFPPMGKKGV-UHFFFAOYSA-N
MW330.12 g/mol
LogP1.59
Rot. Bonds3

About N-(5-fluoro-4-iodo-2-pyridinyl)ethanesulfonamide

N-(5-fluoro-4-iodo-2-pyridinyl)ethanesulfonamide (PubChem CID 155434794) has the molecular formula C7H8FIN2O2S and a molecular weight of 330.12 g/mol. Its IUPAC name is N-(5-fluoro-4-iodo-2-pyridinyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-4-iodo-2-pyridinyl)ethanesulfonamide
PubChem CID155434794
Molecular FormulaC7H8FIN2O2S
Molecular Weight330.12 g/mol
Exact Mass329.93
IUPAC NameN-(5-fluoro-4-iodo-2-pyridinyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(I)c(F)cn1
InChIInChI=1S/C7H8FIN2O2S/c1-2-14(12,13)11-7-3-6(9)5(8)4-10-7/h3-4H,2H2,1H3,(H,10,11)
InChIKeyVIALCFPPMGKKGV-UHFFFAOYSA-N
XLogP1.59
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.12
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-4-iodo-2-pyridinyl)ethanesulfonamide?
The IUPAC name of N-(5-fluoro-4-iodo-2-pyridinyl)ethanesulfonamide (CID 155434794) is N-(5-fluoro-4-iodo-2-pyridinyl)ethanesulfonamide.
What is the SMILES notation for N-(5-fluoro-4-iodo-2-pyridinyl)ethanesulfonamide?
The canonical SMILES for N-(5-fluoro-4-iodo-2-pyridinyl)ethanesulfonamide is CCS(=O)(=O)Nc1cc(I)c(F)cn1.
What is the InChIKey of N-(5-fluoro-4-iodo-2-pyridinyl)ethanesulfonamide?
The InChIKey is VIALCFPPMGKKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FIN2O2S/c1-2-14(12,13)11-7-3-6(9)5(8)4-10-7/h3-4H,2H2,1H3,(H,10,11).
What are the key properties of N-(5-fluoro-4-iodo-2-pyridinyl)ethanesulfonamide?
N-(5-fluoro-4-iodo-2-pyridinyl)ethanesulfonamide has a molecular weight of 330.12 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-4-iodo-2-pyridinyl)ethanesulfonamide is sourced from PubChem (CID 155434794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).