3-chloro-4-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)oxypyridine

C14H14ClN3O3S — CID 119100292

IUPAC3-chloro-4-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)oxypyridine
SMILESO=S(=O)(c1cccnc1)N1CCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C14H14ClN3O3S/c15-13-9-17-6-3-14(13)21-11-4-7-18(10-11)22(19,20)12-2-1-5-16-8-12/h1-3,5-6,8-9,11H,4,7,10H2
InChIKeyNLPRWFVPCSAHBG-UHFFFAOYSA-N
MW339.80 g/mol
LogP1.97
Rot. Bonds4

About 3-chloro-4-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)oxypyridine

3-chloro-4-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)oxypyridine (PubChem CID 119100292) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is 3-chloro-4-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)oxypyridine.

Molecular Properties

Compound Name3-chloro-4-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)oxypyridine
PubChem CID119100292
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC Name3-chloro-4-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)oxypyridine
SMILESO=S(=O)(c1cccnc1)N1CCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C14H14ClN3O3S/c15-13-9-17-6-3-14(13)21-11-4-7-18(10-11)22(19,20)12-2-1-5-16-8-12/h1-3,5-6,8-9,11H,4,7,10H2
InChIKeyNLPRWFVPCSAHBG-UHFFFAOYSA-N
XLogP1.97
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]oxy-3-chloropyridine
CID 122256501
methyl N-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenyl]carbamate
CID 119100298
1-[3-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonylphenyl]ethanone
CID 122256534
2-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenoxy]acetamide
CID 119100301
3-chloro-4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]oxypyridine
CID 122256548
3-methyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyridazine
CID 100629708
3-chloro-4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 119100620
(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119962668
4-[(3-chloro-4-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide
CID 119100618
1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 121017510
3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 75495315
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)oxypyridine?
The IUPAC name of 3-chloro-4-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)oxypyridine (CID 119100292) is 3-chloro-4-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)oxypyridine.
What is the SMILES notation for 3-chloro-4-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)oxypyridine?
The canonical SMILES for 3-chloro-4-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)oxypyridine is O=S(=O)(c1cccnc1)N1CCC(Oc2ccncc2Cl)C1.
What is the InChIKey of 3-chloro-4-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)oxypyridine?
The InChIKey is NLPRWFVPCSAHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c15-13-9-17-6-3-14(13)21-11-4-7-18(10-11)22(19,20)12-2-1-5-16-8-12/h1-3,5-6,8-9,11H,4,7,10H2.
What are the key properties of 3-chloro-4-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)oxypyridine?
3-chloro-4-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)oxypyridine has a molecular weight of 339.80 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)oxypyridine is sourced from PubChem (CID 119100292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).