4-chloro-3-fluoro-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)pyridine

C13H12ClFN2O2S2 — CID 166308965

IUPAC4-chloro-3-fluoro-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)pyridine
SMILESO=S(=O)(c1cccs1)N1CCCC1c1nccc(Cl)c1F
InChIInChI=1S/C13H12ClFN2O2S2/c14-9-5-6-16-13(12(9)15)10-3-1-7-17(10)21(18,19)11-4-2-8-20-11/h2,4-6,8,10H,1,3,7H2
InChIKeyIIRNDMIMQSAYHC-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.46
Rot. Bonds3

About 4-chloro-3-fluoro-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)pyridine

4-chloro-3-fluoro-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)pyridine (PubChem CID 166308965) has the molecular formula C13H12ClFN2O2S2 and a molecular weight of 346.84 g/mol. Its IUPAC name is 4-chloro-3-fluoro-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)pyridine.

Molecular Properties

Compound Name4-chloro-3-fluoro-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)pyridine
PubChem CID166308965
Molecular FormulaC13H12ClFN2O2S2
Molecular Weight346.84 g/mol
Exact Mass346.00
IUPAC Name4-chloro-3-fluoro-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)pyridine
SMILESO=S(=O)(c1cccs1)N1CCCC1c1nccc(Cl)c1F
InChIInChI=1S/C13H12ClFN2O2S2/c14-9-5-6-16-13(12(9)15)10-3-1-7-17(10)21(18,19)11-4-2-8-20-11/h2,4-6,8,10H,1,3,7H2
InChIKeyIIRNDMIMQSAYHC-UHFFFAOYSA-N
XLogP3.46
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-fluoro-2-[1-[(5-methyl-2-pyridinyl)sulfonyl]pyrrolidin-2-yl]pyridine
CID 166312836
(2R)-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799494
(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 51550798
2-propan-2-yl-1-thiophen-2-ylsulfonylpyrrolidine
CID 110728294
N,2-dimethyl-6-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
CID 110113666
N,2-dimethyl-6-[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-amine
CID 124960237
3-propan-2-yl-5-[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]-1H-1,2,4-triazole
CID 91653844
(2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride
CID 42281719
2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)cyclopentan-1-ol
CID 79543711
2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 47387683
(2S)-N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614841

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)pyridine?
The IUPAC name of 4-chloro-3-fluoro-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)pyridine (CID 166308965) is 4-chloro-3-fluoro-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)pyridine.
What is the SMILES notation for 4-chloro-3-fluoro-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)pyridine?
The canonical SMILES for 4-chloro-3-fluoro-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)pyridine is O=S(=O)(c1cccs1)N1CCCC1c1nccc(Cl)c1F.
What is the InChIKey of 4-chloro-3-fluoro-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)pyridine?
The InChIKey is IIRNDMIMQSAYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2S2/c14-9-5-6-16-13(12(9)15)10-3-1-7-17(10)21(18,19)11-4-2-8-20-11/h2,4-6,8,10H,1,3,7H2.
What are the key properties of 4-chloro-3-fluoro-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)pyridine?
4-chloro-3-fluoro-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)pyridine has a molecular weight of 346.84 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)pyridine is sourced from PubChem (CID 166308965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).