2-[(4-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine

C17H19ClN2O2S2 — CID 7759312

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
SMILESO=S(=O)(c1ccc(SCc2ccc(Cl)cc2)nc1)N1CCCCC1
InChIInChI=1S/C17H19ClN2O2S2/c18-15-6-4-14(5-7-15)13-23-17-9-8-16(12-19-17)24(21,22)20-10-2-1-3-11-20/h4-9,12H,1-3,10-11,13H2
InChIKeyDYNQXLAQGNPDJM-UHFFFAOYSA-N
MW382.94 g/mol
LogP4.20
Rot. Bonds5

About 2-[(4-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine

2-[(4-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine (PubChem CID 7759312) has the molecular formula C17H19ClN2O2S2 and a molecular weight of 382.94 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
PubChem CID7759312
Molecular FormulaC17H19ClN2O2S2
Molecular Weight382.94 g/mol
Exact Mass382.06
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
SMILESO=S(=O)(c1ccc(SCc2ccc(Cl)cc2)nc1)N1CCCCC1
InChIInChI=1S/C17H19ClN2O2S2/c18-15-6-4-14(5-7-15)13-23-17-9-8-16(12-19-17)24(21,22)20-10-2-1-3-11-20/h4-9,12H,1-3,10-11,13H2
InChIKeyDYNQXLAQGNPDJM-UHFFFAOYSA-N
XLogP4.20
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.94
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-benzylsulfanyl-3-pyridinyl)sulfonyl]azepane
CID 7593932
2-[(4-methylsulfanylphenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
CID 7561735
2-[2-(4-chlorophenyl)sulfanylethylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 7603003
2-[[4-(difluoromethoxy)phenyl]methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
CID 60561377
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 7594028
N-(4-chlorophenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 30117204
2-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 27977159
2-[(3-nitrophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 27585815
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
CID 30117657
N-[(4-chlorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 9195091
N-(2,6-dichlorophenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 30117219
2-ethyl-5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 18130725

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine (CID 7759312) is 2-[(4-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine is O=S(=O)(c1ccc(SCc2ccc(Cl)cc2)nc1)N1CCCCC1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine?
The InChIKey is DYNQXLAQGNPDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S2/c18-15-6-4-14(5-7-15)13-23-17-9-8-16(12-19-17)24(21,22)20-10-2-1-3-11-20/h4-9,12H,1-3,10-11,13H2.
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine?
2-[(4-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine has a molecular weight of 382.94 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine is sourced from PubChem (CID 7759312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).