furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone

C17H19NO5S — CID 90591686

IUPACfuran-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)C2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C17H19NO5S/c1-22-13-4-6-14(7-5-13)24(20,21)15-8-10-18(11-9-15)17(19)16-3-2-12-23-16/h2-7,12,15H,8-11H2,1H3
InChIKeyARZINWXRDSSNHS-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.37
Rot. Bonds4

About furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone

furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone (PubChem CID 90591686) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
PubChem CID90591686
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Namefuran-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)C2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C17H19NO5S/c1-22-13-4-6-14(7-5-13)24(20,21)15-8-10-18(11-9-15)17(19)16-3-2-12-23-16/h2-7,12,15H,8-11H2,1H3
InChIKeyARZINWXRDSSNHS-UHFFFAOYSA-N
XLogP2.37
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 90591694
(3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591909
[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-(4-propylphenyl)methanone
CID 90591711
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 90591701
1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine
CID 122445486
furan-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 71805486
3-[4-(4-methoxyphenyl)sulfonylpiperidine-1-carbonyl]benzonitrile
CID 71809004
(2-chloro-6-fluorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591730
furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 648203
3-[4-(4-methoxyphenyl)sulfonylpiperidine-1-carbonyl]chromen-2-one
CID 90591754
furan-2-yl-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone
CID 91625053
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 18149409

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone (CID 90591686) is furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone is COc1ccc(S(=O)(=O)C2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone?
The InChIKey is ARZINWXRDSSNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-22-13-4-6-14(7-5-13)24(20,21)15-8-10-18(11-9-15)17(19)16-3-2-12-23-16/h2-7,12,15H,8-11H2,1H3.
What are the key properties of furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone?
furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone has a molecular weight of 349.41 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone is sourced from PubChem (CID 90591686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).