2-hydroxy-1-[7-(4-piperidin-1-ylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone

C23H27NO4S — CID 58055340

IUPAC2-hydroxy-1-[7-(4-piperidin-1-ylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone
SMILESO=C(CO)C1CCc2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2C1
InChIInChI=1S/C23H27NO4S/c25-16-23(26)20-7-5-18-4-6-19(14-21(18)15-20)17-8-10-22(11-9-17)29(27,28)24-12-2-1-3-13-24/h4,6,8-11,14,20,25H,1-3,5,7,12-13,15-16H2
InChIKeyXMYMCZCKENHNPL-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.19
Rot. Bonds5

About 2-hydroxy-1-[7-(4-piperidin-1-ylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone

2-hydroxy-1-[7-(4-piperidin-1-ylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone (PubChem CID 58055340) has the molecular formula C23H27NO4S and a molecular weight of 413.54 g/mol. Its IUPAC name is 2-hydroxy-1-[7-(4-piperidin-1-ylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[7-(4-piperidin-1-ylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone
PubChem CID58055340
Molecular FormulaC23H27NO4S
Molecular Weight413.54 g/mol
Exact Mass413.17
IUPAC Name2-hydroxy-1-[7-(4-piperidin-1-ylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone
SMILESO=C(CO)C1CCc2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2C1
InChIInChI=1S/C23H27NO4S/c25-16-23(26)20-7-5-18-4-6-19(14-21(18)15-20)17-8-10-22(11-9-17)29(27,28)24-12-2-1-3-13-24/h4,6,8-11,14,20,25H,1-3,5,7,12-13,15-16H2
InChIKeyXMYMCZCKENHNPL-UHFFFAOYSA-N
XLogP3.19
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-1-[7-(4-piperidin-1-ylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[7-(4-piperidin-1-ylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[7-(4-piperidin-1-ylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone (CID 58055340) is 2-hydroxy-1-[7-(4-piperidin-1-ylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[7-(4-piperidin-1-ylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[7-(4-piperidin-1-ylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone is O=C(CO)C1CCc2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2C1.
What is the InChIKey of 2-hydroxy-1-[7-(4-piperidin-1-ylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone?
The InChIKey is XMYMCZCKENHNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4S/c25-16-23(26)20-7-5-18-4-6-19(14-21(18)15-20)17-8-10-22(11-9-17)29(27,28)24-12-2-1-3-13-24/h4,6,8-11,14,20,25H,1-3,5,7,12-13,15-16H2.
What are the key properties of 2-hydroxy-1-[7-(4-piperidin-1-ylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone?
2-hydroxy-1-[7-(4-piperidin-1-ylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone has a molecular weight of 413.54 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[7-(4-piperidin-1-ylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone is sourced from PubChem (CID 58055340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).