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

C9H8Cl2N2O3S — CID 168712878

IUPAC1-(2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1cccnc1Cl
InChIInChI=1S/C9H8Cl2N2O3S/c10-9-7(2-1-3-12-9)13-5-6(4-8(13)14)17(11,15)16/h1-3,6H,4-5H2
InChIKeyCEMCPYIYFNLFHI-UHFFFAOYSA-N
MW295.15 g/mol
LogP1.41
Rot. Bonds2

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

1-(2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168712878) has the molecular formula C9H8Cl2N2O3S and a molecular weight of 295.15 g/mol. Its IUPAC name is 1-(2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168712878
Molecular FormulaC9H8Cl2N2O3S
Molecular Weight295.15 g/mol
Exact Mass293.96
IUPAC Name1-(2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1cccnc1Cl
InChIInChI=1S/C9H8Cl2N2O3S/c10-9-7(2-1-3-12-9)13-5-6(4-8(13)14)17(11,15)16/h1-3,6H,4-5H2
InChIKeyCEMCPYIYFNLFHI-UHFFFAOYSA-N
XLogP1.41
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride
CID 168712980
5-oxo-1-(1,10-phenanthrolin-5-yl)pyrrolidine-3-sulfonyl chloride
CID 168712719
1-(6-bromo-2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712539
1-[(2-chloro-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712228
1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711657
1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711290
1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712978
1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712717
1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711676
1-(1-methylindazol-7-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711997
1-isoquinolin-1-yl-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712977
5-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712596

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168712878) is 1-(2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride is O=C1CC(S(=O)(=O)Cl)CN1c1cccnc1Cl.
What is the InChIKey of 1-(2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is CEMCPYIYFNLFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O3S/c10-9-7(2-1-3-12-9)13-5-6(4-8(13)14)17(11,15)16/h1-3,6H,4-5H2.
What are the key properties of 1-(2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 295.15 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168712878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).