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

C15H14Cl2N2O2S — CID 24525742

IUPAC3-[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine
SMILESO=S(=O)(c1cccc(Cl)c1Cl)N1CCCC1c1cccnc1
InChIInChI=1S/C15H14Cl2N2O2S/c16-12-5-1-7-14(15(12)17)22(20,21)19-9-3-6-13(19)11-4-2-8-18-10-11/h1-2,4-5,7-8,10,13H,3,6,9H2
InChIKeyNMFISZKGOACMRB-UHFFFAOYSA-N
MW357.26 g/mol
LogP3.91
Rot. Bonds3

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

3-[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine (PubChem CID 24525742) has the molecular formula C15H14Cl2N2O2S and a molecular weight of 357.26 g/mol. Its IUPAC name is 3-[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine
PubChem CID24525742
Molecular FormulaC15H14Cl2N2O2S
Molecular Weight357.26 g/mol
Exact Mass356.02
IUPAC Name3-[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine
SMILESO=S(=O)(c1cccc(Cl)c1Cl)N1CCCC1c1cccnc1
InChIInChI=1S/C15H14Cl2N2O2S/c16-12-5-1-7-14(15(12)17)22(20,21)19-9-3-6-13(19)11-4-2-8-18-10-11/h1-2,4-5,7-8,10,13H,3,6,9H2
InChIKeyNMFISZKGOACMRB-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-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 2805684
3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728
3-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 24525751
3-[(2R)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine
CID 6927843
3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine
CID 906684
N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 659759
3,5-dimethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,2-oxazole
CID 24525746
3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine
CID 42922078
1-(2,4-dichloro-3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763688
3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine
CID 40501419
3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfuric acid
CID 70556127
bis(4-[3-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]phenyl]-3-ethylpyridine);hydrochloride
CID 162260675

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine?
The IUPAC name of 3-[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine (CID 24525742) is 3-[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine is O=S(=O)(c1cccc(Cl)c1Cl)N1CCCC1c1cccnc1.
What is the InChIKey of 3-[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine?
The InChIKey is NMFISZKGOACMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2S/c16-12-5-1-7-14(15(12)17)22(20,21)19-9-3-6-13(19)11-4-2-8-18-10-11/h1-2,4-5,7-8,10,13H,3,6,9H2.
What are the key properties of 3-[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine?
3-[1-(2,3-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-(2,3-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 24525742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).