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

C10H11ClIN3O3S — CID 168682856

IUPAC[1-(5-chloro-3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2ncc(Cl)cc2I)C1
InChIInChI=1S/C10H11ClIN3O3S/c11-7-2-8(12)10(14-3-7)15-4-6(1-9(15)16)5-19(13,17)18/h2-3,6H,1,4-5H2,(H2,13,17,18)
InChIKeyWYYJIUVTFGAUOG-UHFFFAOYSA-N
MW415.64 g/mol
LogP0.98
Rot. Bonds3

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

[1-(5-chloro-3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168682856) has the molecular formula C10H11ClIN3O3S and a molecular weight of 415.64 g/mol. Its IUPAC name is [1-(5-chloro-3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(5-chloro-3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168682856
Molecular FormulaC10H11ClIN3O3S
Molecular Weight415.64 g/mol
Exact Mass414.93
IUPAC Name[1-(5-chloro-3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2ncc(Cl)cc2I)C1
InChIInChI=1S/C10H11ClIN3O3S/c11-7-2-8(12)10(14-3-7)15-4-6(1-9(15)16)5-19(13,17)18/h2-3,6H,1,4-5H2,(H2,13,17,18)
InChIKeyWYYJIUVTFGAUOG-UHFFFAOYSA-N
XLogP0.98
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.64
LogP ≤ 50.98
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

[1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682854
[1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677543
[1-(5-bromo-3-hydroxy-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682336
[1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677367
[1-(3-bromo-5-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682857
[1-(5-chloro-3-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676808
1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168661138
[1-(4-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682685
[1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683033
[1-(5-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682417
[1-(4,5-difluoro-2-iodophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682389
[1-(5-chloro-2-hydroxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682419

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(5-chloro-3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168682856) is [1-(5-chloro-3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(5-chloro-3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(5-chloro-3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(c2ncc(Cl)cc2I)C1.
What is the InChIKey of [1-(5-chloro-3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is WYYJIUVTFGAUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClIN3O3S/c11-7-2-8(12)10(14-3-7)15-4-6(1-9(15)16)5-19(13,17)18/h2-3,6H,1,4-5H2,(H2,13,17,18).
What are the key properties of [1-(5-chloro-3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(5-chloro-3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 415.64 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168682856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).