1-(5-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride

C9H8ClIN2O3S — CID 168712510

IUPAC1-(5-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1ccc(I)cn1
InChIInChI=1S/C9H8ClIN2O3S/c10-17(15,16)7-3-9(14)13(5-7)8-2-1-6(11)4-12-8/h1-2,4,7H,3,5H2
InChIKeyHAYWNUYHKIPZBJ-UHFFFAOYSA-N
MW386.60 g/mol
LogP1.36
Rot. Bonds2

About 1-(5-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(5-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168712510) has the molecular formula C9H8ClIN2O3S and a molecular weight of 386.60 g/mol. Its IUPAC name is 1-(5-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(5-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168712510
Molecular FormulaC9H8ClIN2O3S
Molecular Weight386.60 g/mol
Exact Mass385.90
IUPAC Name1-(5-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1ccc(I)cn1
InChIInChI=1S/C9H8ClIN2O3S/c10-17(15,16)7-3-9(14)13(5-7)8-2-1-6(11)4-12-8/h1-2,4,7H,3,5H2
InChIKeyHAYWNUYHKIPZBJ-UHFFFAOYSA-N
XLogP1.36
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.60
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2,5-Dioxopyrrolidin-1-yl)pyridine-3-sulfonamide
CID 145946072
1-[(Pyridin-2-ylamino)methyl]pyrrolidine-2,5-dione
CID 659627
2-(2-Pyridyl)-isothiazol-3(2H)-one
CID 44564009
2-methylsulfonyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
CID 45822117
1-(Pyridin-2-yl)pyrrolidin-2-one
CID 11263675
6-(2,5-Dioxopyrrolidin-1-yl)pyridine-3-sulfonyl chloride
CID 137951762
N-pyridin-2-yl-3-sulfanylpropanamide
CID 108468875
3-Methyl-1-pyridin-2-ylpyrrolidin-2-one
CID 90027951
(Pyridin-2-yl)thiazolidinone
CID 138392243
1,1-dioxo-N-pyridin-2-ylthiolane-3-carboxamide
CID 45805174
1-[2-[(3-Iodo-2-pyridinyl)-methylamino]ethyl]pyrrolidin-2-one
CID 72003586
N-(5-chloro-2-pyridinyl)-N-methyl-3-methylsulfonylpropanamide
CID 72008617

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(5-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168712510) is 1-(5-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(5-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(5-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride is O=C1CC(S(=O)(=O)Cl)CN1c1ccc(I)cn1.
What is the InChIKey of 1-(5-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is HAYWNUYHKIPZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClIN2O3S/c10-17(15,16)7-3-9(14)13(5-7)8-2-1-6(11)4-12-8/h1-2,4,7H,3,5H2.
What are the key properties of 1-(5-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(5-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 386.60 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168712510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).