3-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]sulfonylpyridine

C17H20N2O5S2 — CID 71809039

IUPAC3-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]sulfonylpyridine
SMILESCOc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C17H20N2O5S2/c1-24-14-4-6-15(7-5-14)25(20,21)16-8-11-19(12-9-16)26(22,23)17-3-2-10-18-13-17/h2-7,10,13,16H,8-9,11-12H2,1H3
InChIKeyAUBHFBCBDOXNPD-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.72
Rot. Bonds5

About 3-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]sulfonylpyridine

3-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]sulfonylpyridine (PubChem CID 71809039) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]sulfonylpyridine.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]sulfonylpyridine
PubChem CID71809039
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC Name3-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]sulfonylpyridine
SMILESCOc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C17H20N2O5S2/c1-24-14-4-6-15(7-5-14)25(20,21)16-8-11-19(12-9-16)26(22,23)17-3-2-10-18-13-17/h2-7,10,13,16H,8-9,11-12H2,1H3
InChIKeyAUBHFBCBDOXNPD-UHFFFAOYSA-N
XLogP1.72
TPSA93.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]sulfonylpyridine?
The IUPAC name of 3-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]sulfonylpyridine (CID 71809039) is 3-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]sulfonylpyridine.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]sulfonylpyridine?
The canonical SMILES for 3-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]sulfonylpyridine is COc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]sulfonylpyridine?
The InChIKey is AUBHFBCBDOXNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-24-14-4-6-15(7-5-14)25(20,21)16-8-11-19(12-9-16)26(22,23)17-3-2-10-18-13-17/h2-7,10,13,16H,8-9,11-12H2,1H3.
What are the key properties of 3-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]sulfonylpyridine?
3-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]sulfonylpyridine has a molecular weight of 396.49 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]sulfonylpyridine is sourced from PubChem (CID 71809039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).