3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine

C15H14Cl2N2O2S — CID 2805684

IUPAC3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1Cl)N1CCCC1c1cccnc1
InChIInChI=1S/C15H14Cl2N2O2S/c16-12-5-6-15(13(17)9-12)22(20,21)19-8-2-4-14(19)11-3-1-7-18-10-11/h1,3,5-7,9-10,14H,2,4,8H2
InChIKeyLHEOSHHKCZRSST-UHFFFAOYSA-N
MW357.26 g/mol
LogP3.91
Rot. Bonds3

About 3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine

3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine (PubChem CID 2805684) has the molecular formula C15H14Cl2N2O2S and a molecular weight of 357.26 g/mol. Its IUPAC name is 3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine
PubChem CID2805684
Molecular FormulaC15H14Cl2N2O2S
Molecular Weight357.26 g/mol
Exact Mass356.02
IUPAC Name3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1Cl)N1CCCC1c1cccnc1
InChIInChI=1S/C15H14Cl2N2O2S/c16-12-5-6-15(13(17)9-12)22(20,21)19-8-2-4-14(19)11-3-1-7-18-10-11/h1,3,5-7,9-10,14H,2,4,8H2
InChIKeyLHEOSHHKCZRSST-UHFFFAOYSA-N
XLogP3.91
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 24525742
3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728
3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine
CID 42922078
3-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 24525751
4-[3-chloro-4-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]-1-methylpyrazole
CID 171906912
3,5-dimethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,2-oxazole
CID 24525746
1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764128
3-[1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 24525744
3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine
CID 906684
3-[(2R)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine
CID 6927843
5-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110871612
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine?
The IUPAC name of 3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine (CID 2805684) is 3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine is O=S(=O)(c1ccc(Cl)cc1Cl)N1CCCC1c1cccnc1.
What is the InChIKey of 3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine?
The InChIKey is LHEOSHHKCZRSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2S/c16-12-5-6-15(13(17)9-12)22(20,21)19-8-2-4-14(19)11-3-1-7-18-10-11/h1,3,5-7,9-10,14H,2,4,8H2.
What are the key properties of 3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine?
3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine has a molecular weight of 357.26 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 2805684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).