1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride

C10H11ClN2O4S — CID 168711528

IUPAC1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCOc1ccncc1N1CC(S(=O)(=O)Cl)CC1=O
InChIInChI=1S/C10H11ClN2O4S/c1-17-9-2-3-12-5-8(9)13-6-7(4-10(13)14)18(11,15)16/h2-3,5,7H,4,6H2,1H3
InChIKeyWFWYNHRLXXNRNV-UHFFFAOYSA-N
MW290.73 g/mol
LogP0.76
Rot. Bonds3

About 1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168711528) has the molecular formula C10H11ClN2O4S and a molecular weight of 290.73 g/mol. Its IUPAC name is 1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168711528
Molecular FormulaC10H11ClN2O4S
Molecular Weight290.73 g/mol
Exact Mass290.01
IUPAC Name1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCOc1ccncc1N1CC(S(=O)(=O)Cl)CC1=O
InChIInChI=1S/C10H11ClN2O4S/c1-17-9-2-3-12-5-8(9)13-6-7(4-10(13)14)18(11,15)16/h2-3,5,7H,4,6H2,1H3
InChIKeyWFWYNHRLXXNRNV-UHFFFAOYSA-N
XLogP0.76
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717451
4-amino-1-(4-methoxy-3-pyridinyl)pyrrolidin-2-one
CID 168699582
[1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681206
1-(2,4-dichloro-5-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711460
1-(6-methoxypyridazin-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711498
1-(4-cyano-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711463
1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717427
1-(4-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715715
1-(2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712878
1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711676
1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711657
5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride
CID 168712980

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168711528) is 1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride is COc1ccncc1N1CC(S(=O)(=O)Cl)CC1=O.
What is the InChIKey of 1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is WFWYNHRLXXNRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4S/c1-17-9-2-3-12-5-8(9)13-6-7(4-10(13)14)18(11,15)16/h2-3,5,7H,4,6H2,1H3.
What are the key properties of 1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 290.73 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168711528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).