3-chloro-4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]oxypyridine

C20H23ClN2O3S — CID 122256548

IUPAC3-chloro-4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]oxypyridine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C20H23ClN2O3S/c21-19-13-22-10-9-20(19)26-17-6-3-11-23(14-17)27(24,25)18-8-7-15-4-1-2-5-16(15)12-18/h7-10,12-13,17H,1-6,11,14H2
InChIKeyRTKUTOINMXBGOW-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.85
Rot. Bonds4

About 3-chloro-4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]oxypyridine

3-chloro-4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]oxypyridine (PubChem CID 122256548) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 3-chloro-4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]oxypyridine.

Molecular Properties

Compound Name3-chloro-4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]oxypyridine
PubChem CID122256548
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name3-chloro-4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]oxypyridine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C20H23ClN2O3S/c21-19-13-22-10-9-20(19)26-17-6-3-11-23(14-17)27(24,25)18-8-7-15-4-1-2-5-16(15)12-18/h7-10,12-13,17H,1-6,11,14H2
InChIKeyRTKUTOINMXBGOW-UHFFFAOYSA-N
XLogP3.85
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]oxy-3-chloropyridine
CID 122256501
1-[3-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonylphenyl]ethanone
CID 122256534
3-chloro-4-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)oxypyridine
CID 119100292
1-(3-chloro-4-pyridinyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine
CID 133358239
methyl N-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenyl]carbamate
CID 119100298
2-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenoxy]acetamide
CID 119100301
3-chloro-4-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]oxypyridine
CID 122243535
3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 63397341
(3R)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962436
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol
CID 43394280
7-[3-(2-chlorophenoxy)azetidin-1-yl]sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 44573159
3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine
CID 63400425

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]oxypyridine?
The IUPAC name of 3-chloro-4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]oxypyridine (CID 122256548) is 3-chloro-4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]oxypyridine.
What is the SMILES notation for 3-chloro-4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]oxypyridine?
The canonical SMILES for 3-chloro-4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]oxypyridine is O=S(=O)(c1ccc2c(c1)CCCC2)N1CCCC(Oc2ccncc2Cl)C1.
What is the InChIKey of 3-chloro-4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]oxypyridine?
The InChIKey is RTKUTOINMXBGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c21-19-13-22-10-9-20(19)26-17-6-3-11-23(14-17)27(24,25)18-8-7-15-4-1-2-5-16(15)12-18/h7-10,12-13,17H,1-6,11,14H2.
What are the key properties of 3-chloro-4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]oxypyridine?
3-chloro-4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]oxypyridine has a molecular weight of 406.94 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]oxypyridine is sourced from PubChem (CID 122256548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).