[1-(6-fluoro-5-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C10H11FIN3O3S — CID 168682613

IUPAC[1-(6-fluoro-5-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2ccc(I)c(F)n2)C1
InChIInChI=1S/C10H11FIN3O3S/c11-10-7(12)1-2-8(14-10)15-4-6(3-9(15)16)5-19(13,17)18/h1-2,6H,3-5H2,(H2,13,17,18)
InChIKeyFFFSGYOLOLEKGO-UHFFFAOYSA-N
MW399.19 g/mol
LogP0.47
Rot. Bonds3

About [1-(6-fluoro-5-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(6-fluoro-5-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168682613) has the molecular formula C10H11FIN3O3S and a molecular weight of 399.19 g/mol. Its IUPAC name is [1-(6-fluoro-5-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(6-fluoro-5-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168682613
Molecular FormulaC10H11FIN3O3S
Molecular Weight399.19 g/mol
Exact Mass398.95
IUPAC Name[1-(6-fluoro-5-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2ccc(I)c(F)n2)C1
InChIInChI=1S/C10H11FIN3O3S/c11-10-7(12)1-2-8(14-10)15-4-6(3-9(15)16)5-19(13,17)18/h1-2,6H,3-5H2,(H2,13,17,18)
InChIKeyFFFSGYOLOLEKGO-UHFFFAOYSA-N
XLogP0.47
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.19
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[1-(5-bromo-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681534
[1-(5-cyano-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681535
[1-(4,5-difluoro-2-iodophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682389
6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 168682617
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683247
[1-(3,4-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682505
[1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681788
[1-(6-bromo-4-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681589
[6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-3-pyridinyl]boronic acid
CID 168683338
[1-(5-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682417
[1-(2-fluoro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683056
[1-(2-chloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682696

Frequently Asked Questions

What is the IUPAC name of [1-(6-fluoro-5-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(6-fluoro-5-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168682613) is [1-(6-fluoro-5-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(6-fluoro-5-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(6-fluoro-5-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(c2ccc(I)c(F)n2)C1.
What is the InChIKey of [1-(6-fluoro-5-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is FFFSGYOLOLEKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FIN3O3S/c11-10-7(12)1-2-8(14-10)15-4-6(3-9(15)16)5-19(13,17)18/h1-2,6H,3-5H2,(H2,13,17,18).
What are the key properties of [1-(6-fluoro-5-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(6-fluoro-5-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 399.19 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-fluoro-5-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168682613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).