2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]pyridine

C13H13ClN2O2S2 — CID 47387683

IUPAC2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]pyridine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCCC1c1ccccn1
InChIInChI=1S/C13H13ClN2O2S2/c14-12-6-7-13(19-12)20(17,18)16-9-3-5-11(16)10-4-1-2-8-15-10/h1-2,4,6-8,11H,3,5,9H2
InChIKeyUGVPPGNGECNWSS-UHFFFAOYSA-N
MW328.85 g/mol
LogP3.32
Rot. Bonds3

About 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]pyridine

2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]pyridine (PubChem CID 47387683) has the molecular formula C13H13ClN2O2S2 and a molecular weight of 328.85 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]pyridine
PubChem CID47387683
Molecular FormulaC13H13ClN2O2S2
Molecular Weight328.85 g/mol
Exact Mass328.01
IUPAC Name2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]pyridine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCCC1c1ccccn1
InChIInChI=1S/C13H13ClN2O2S2/c14-12-6-7-13(19-12)20(17,18)16-9-3-5-11(16)10-4-1-2-8-15-10/h1-2,4,6-8,11H,3,5,9H2
InChIKeyUGVPPGNGECNWSS-UHFFFAOYSA-N
XLogP3.32
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.85
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]pyridine 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

(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 51550798
2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 110873160
1-(5-chlorothiophen-2-yl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 24672059
1-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine
CID 50746966
1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine
CID 110728237
5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-cyclopropyl-1,2,4-oxadiazole
CID 90564742
2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 68616001
(2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
CID 7063076
2-(benzenesulfonylmethyl)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine
CID 90585727
5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 46366393
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 51648857
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614869

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]pyridine?
The IUPAC name of 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]pyridine (CID 47387683) is 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]pyridine is O=S(=O)(c1ccc(Cl)s1)N1CCCC1c1ccccn1.
What is the InChIKey of 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]pyridine?
The InChIKey is UGVPPGNGECNWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S2/c14-12-6-7-13(19-12)20(17,18)16-9-3-5-11(16)10-4-1-2-8-15-10/h1-2,4,6-8,11H,3,5,9H2.
What are the key properties of 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]pyridine?
2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]pyridine has a molecular weight of 328.85 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 47387683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).