2-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridine

C15H14ClFN2O2S — CID 136539939

IUPAC2-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridine
SMILESO=S(=O)(c1cc(F)ccc1Cl)N1CCC(c2ccccn2)C1
InChIInChI=1S/C15H14ClFN2O2S/c16-13-5-4-12(17)9-15(13)22(20,21)19-8-6-11(10-19)14-3-1-2-7-18-14/h1-5,7,9,11H,6,8,10H2
InChIKeyRPVQQPRFWBYNGH-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.05
Rot. Bonds3

About 2-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridine

2-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridine (PubChem CID 136539939) has the molecular formula C15H14ClFN2O2S and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridine.

Molecular Properties

Compound Name2-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridine
PubChem CID136539939
Molecular FormulaC15H14ClFN2O2S
Molecular Weight340.81 g/mol
Exact Mass340.04
IUPAC Name2-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridine
SMILESO=S(=O)(c1cc(F)ccc1Cl)N1CCC(c2ccccn2)C1
InChIInChI=1S/C15H14ClFN2O2S/c16-13-5-4-12(17)9-15(13)22(20,21)19-8-6-11(10-19)14-3-1-2-7-18-14/h1-5,7,9,11H,6,8,10H2
InChIKeyRPVQQPRFWBYNGH-UHFFFAOYSA-N
XLogP3.05
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridine?
The IUPAC name of 2-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridine (CID 136539939) is 2-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridine.
What is the SMILES notation for 2-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridine?
The canonical SMILES for 2-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridine is O=S(=O)(c1cc(F)ccc1Cl)N1CCC(c2ccccn2)C1.
What is the InChIKey of 2-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridine?
The InChIKey is RPVQQPRFWBYNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2S/c16-13-5-4-12(17)9-15(13)22(20,21)19-8-6-11(10-19)14-3-1-2-7-18-14/h1-5,7,9,11H,6,8,10H2.
What are the key properties of 2-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridine?
2-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridine has a molecular weight of 340.81 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridine is sourced from PubChem (CID 136539939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).