5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidine-3-sulfonyl chloride

C15H13ClN2O3S — CID 168712493

IUPAC5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C15H13ClN2O3S/c16-22(20,21)13-8-15(19)18(10-13)12-6-7-14(17-9-12)11-4-2-1-3-5-11/h1-7,9,13H,8,10H2
InChIKeyWMVPERCVCLVGRY-UHFFFAOYSA-N
MW336.80 g/mol
LogP2.42
Rot. Bonds3

About 5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidine-3-sulfonyl chloride

5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidine-3-sulfonyl chloride (PubChem CID 168712493) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is 5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidine-3-sulfonyl chloride
PubChem CID168712493
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC Name5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C15H13ClN2O3S/c16-22(20,21)13-8-15(19)18(10-13)12-6-7-14(17-9-12)11-4-2-1-3-5-11/h1-7,9,13H,8,10H2
InChIKeyWMVPERCVCLVGRY-UHFFFAOYSA-N
XLogP2.42
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidine-3-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(chloromethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one
CID 168508921
[5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677109
4-(hydroxymethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one
CID 168663596
5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride
CID 168712980
5-oxo-1-(4-phenylphenyl)pyrrolidine-3-sulfonyl fluoride
CID 168715472
1-(6-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715519
1-(3-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712434
1-(5-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712510
1-(2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712878
5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712792
5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712479
1-isoquinolin-1-yl-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712977

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidine-3-sulfonyl chloride?
The IUPAC name of 5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidine-3-sulfonyl chloride (CID 168712493) is 5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidine-3-sulfonyl chloride is O=C1CC(S(=O)(=O)Cl)CN1c1ccc(-c2ccccc2)nc1.
What is the InChIKey of 5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidine-3-sulfonyl chloride?
The InChIKey is WMVPERCVCLVGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c16-22(20,21)13-8-15(19)18(10-13)12-6-7-14(17-9-12)11-4-2-1-3-5-11/h1-7,9,13H,8,10H2.
What are the key properties of 5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidine-3-sulfonyl chloride?
5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidine-3-sulfonyl chloride has a molecular weight of 336.80 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168712493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).