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

C10H10Cl2N2O3S — CID 168712228

IUPAC1-[(2-chloro-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1Cc1cccnc1Cl
InChIInChI=1S/C10H10Cl2N2O3S/c11-10-7(2-1-3-13-10)5-14-6-8(4-9(14)15)18(12,16)17/h1-3,8H,4-6H2
InChIKeyKXYHBTWCHYGTKW-UHFFFAOYSA-N
MW309.17 g/mol
LogP1.40
Rot. Bonds3

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

1-[(2-chloro-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168712228) has the molecular formula C10H10Cl2N2O3S and a molecular weight of 309.17 g/mol. Its IUPAC name is 1-[(2-chloro-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-[(2-chloro-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168712228
Molecular FormulaC10H10Cl2N2O3S
Molecular Weight309.17 g/mol
Exact Mass307.98
IUPAC Name1-[(2-chloro-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1Cc1cccnc1Cl
InChIInChI=1S/C10H10Cl2N2O3S/c11-10-7(2-1-3-13-10)5-14-6-8(4-9(14)15)18(12,16)17/h1-3,8H,4-6H2
InChIKeyKXYHBTWCHYGTKW-UHFFFAOYSA-N
XLogP1.40
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 51.40
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

1-[(2-chloro-3-pyridinyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168709567
1-[(2,3-dichlorophenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712216
5-oxo-1-(quinolin-4-ylmethyl)pyrrolidine-3-sulfonyl chloride
CID 168712231
1-(2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712878
1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711290
5-oxo-1-(quinolin-7-ylmethyl)pyrrolidine-3-sulfonyl chloride
CID 168712210
1-[(2-chloro-4-methylphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711841
1-[2-(2-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712089
5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride
CID 168712980
5-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyrrolidine-3-sulfonyl chloride
CID 168712180
1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711571
1-[(2-chloro-3-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718393

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-[(2-chloro-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride (CID 168712228) is 1-[(2-chloro-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-[(2-chloro-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-[(2-chloro-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride is O=C1CC(S(=O)(=O)Cl)CN1Cc1cccnc1Cl.
What is the InChIKey of 1-[(2-chloro-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is KXYHBTWCHYGTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O3S/c11-10-7(2-1-3-13-10)5-14-6-8(4-9(14)15)18(12,16)17/h1-3,8H,4-6H2.
What are the key properties of 1-[(2-chloro-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride?
1-[(2-chloro-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 309.17 g/mol, XLogP of 1.40, 3 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)methyl]-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168712228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).