4-chloro-3-fluoro-2-[1-[(5-methyl-2-pyridinyl)sulfonyl]pyrrolidin-2-yl]pyridine

C15H15ClFN3O2S — CID 166312836

IUPAC4-chloro-3-fluoro-2-[1-[(5-methyl-2-pyridinyl)sulfonyl]pyrrolidin-2-yl]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCCC2c2nccc(Cl)c2F)nc1
InChIInChI=1S/C15H15ClFN3O2S/c1-10-4-5-13(19-9-10)23(21,22)20-8-2-3-12(20)15-14(17)11(16)6-7-18-15/h4-7,9,12H,2-3,8H2,1H3
InChIKeyQRNPXZQHKLSDIO-UHFFFAOYSA-N
MW355.82 g/mol
LogP3.10
Rot. Bonds3

About 4-chloro-3-fluoro-2-[1-[(5-methyl-2-pyridinyl)sulfonyl]pyrrolidin-2-yl]pyridine

4-chloro-3-fluoro-2-[1-[(5-methyl-2-pyridinyl)sulfonyl]pyrrolidin-2-yl]pyridine (PubChem CID 166312836) has the molecular formula C15H15ClFN3O2S and a molecular weight of 355.82 g/mol. Its IUPAC name is 4-chloro-3-fluoro-2-[1-[(5-methyl-2-pyridinyl)sulfonyl]pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name4-chloro-3-fluoro-2-[1-[(5-methyl-2-pyridinyl)sulfonyl]pyrrolidin-2-yl]pyridine
PubChem CID166312836
Molecular FormulaC15H15ClFN3O2S
Molecular Weight355.82 g/mol
Exact Mass355.06
IUPAC Name4-chloro-3-fluoro-2-[1-[(5-methyl-2-pyridinyl)sulfonyl]pyrrolidin-2-yl]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCCC2c2nccc(Cl)c2F)nc1
InChIInChI=1S/C15H15ClFN3O2S/c1-10-4-5-13(19-9-10)23(21,22)20-8-2-3-12(20)15-14(17)11(16)6-7-18-15/h4-7,9,12H,2-3,8H2,1H3
InChIKeyQRNPXZQHKLSDIO-UHFFFAOYSA-N
XLogP3.10
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-fluoro-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)pyridine
CID 166308965
[1-[(5-methyl-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine
CID 71638663
2-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-imidazole
CID 75453072
(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856371
4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine
CID 110267288
2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole
CID 110750424
2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 102539084
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
5-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 53206219
5-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazole
CID 136561171
3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728
2-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
CID 102543313

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-2-[1-[(5-methyl-2-pyridinyl)sulfonyl]pyrrolidin-2-yl]pyridine?
The IUPAC name of 4-chloro-3-fluoro-2-[1-[(5-methyl-2-pyridinyl)sulfonyl]pyrrolidin-2-yl]pyridine (CID 166312836) is 4-chloro-3-fluoro-2-[1-[(5-methyl-2-pyridinyl)sulfonyl]pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 4-chloro-3-fluoro-2-[1-[(5-methyl-2-pyridinyl)sulfonyl]pyrrolidin-2-yl]pyridine?
The canonical SMILES for 4-chloro-3-fluoro-2-[1-[(5-methyl-2-pyridinyl)sulfonyl]pyrrolidin-2-yl]pyridine is Cc1ccc(S(=O)(=O)N2CCCC2c2nccc(Cl)c2F)nc1.
What is the InChIKey of 4-chloro-3-fluoro-2-[1-[(5-methyl-2-pyridinyl)sulfonyl]pyrrolidin-2-yl]pyridine?
The InChIKey is QRNPXZQHKLSDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O2S/c1-10-4-5-13(19-9-10)23(21,22)20-8-2-3-12(20)15-14(17)11(16)6-7-18-15/h4-7,9,12H,2-3,8H2,1H3.
What are the key properties of 4-chloro-3-fluoro-2-[1-[(5-methyl-2-pyridinyl)sulfonyl]pyrrolidin-2-yl]pyridine?
4-chloro-3-fluoro-2-[1-[(5-methyl-2-pyridinyl)sulfonyl]pyrrolidin-2-yl]pyridine has a molecular weight of 355.82 g/mol, XLogP of 3.10, 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-[(5-methyl-2-pyridinyl)sulfonyl]pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 166312836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).