1-[3-(3-piperidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpiperidine

C22H28N2O6S3 — CID 2833500

IUPAC1-[3-(3-piperidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpiperidine
SMILESO=S(=O)(c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H28N2O6S3/c25-31(26,19-9-7-11-21(17-19)32(27,28)23-13-3-1-4-14-23)20-10-8-12-22(18-20)33(29,30)24-15-5-2-6-16-24/h7-12,17-18H,1-6,13-16H2
InChIKeyXOXIQJIFNXKJJG-UHFFFAOYSA-N
MW512.68 g/mol
LogP2.87
Rot. Bonds6

About 1-[3-(3-piperidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpiperidine

1-[3-(3-piperidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpiperidine (PubChem CID 2833500) has the molecular formula C22H28N2O6S3 and a molecular weight of 512.68 g/mol. Its IUPAC name is 1-[3-(3-piperidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[3-(3-piperidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpiperidine
PubChem CID2833500
Molecular FormulaC22H28N2O6S3
Molecular Weight512.68 g/mol
Exact Mass512.11
IUPAC Name1-[3-(3-piperidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpiperidine
SMILESO=S(=O)(c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H28N2O6S3/c25-31(26,19-9-7-11-21(17-19)32(27,28)23-13-3-1-4-14-23)20-10-8-12-22(18-20)33(29,30)24-15-5-2-6-16-24/h7-12,17-18H,1-6,13-16H2
InChIKeyXOXIQJIFNXKJJG-UHFFFAOYSA-N
XLogP2.87
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.68
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-(3-piperidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpiperidine 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 1-[3-(3-piperidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpiperidine?
The IUPAC name of 1-[3-(3-piperidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpiperidine (CID 2833500) is 1-[3-(3-piperidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpiperidine.
What is the SMILES notation for 1-[3-(3-piperidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpiperidine?
The canonical SMILES for 1-[3-(3-piperidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpiperidine is O=S(=O)(c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 1-[3-(3-piperidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpiperidine?
The InChIKey is XOXIQJIFNXKJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S3/c25-31(26,19-9-7-11-21(17-19)32(27,28)23-13-3-1-4-14-23)20-10-8-12-22(18-20)33(29,30)24-15-5-2-6-16-24/h7-12,17-18H,1-6,13-16H2.
What are the key properties of 1-[3-(3-piperidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpiperidine?
1-[3-(3-piperidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpiperidine has a molecular weight of 512.68 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-piperidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpiperidine is sourced from PubChem (CID 2833500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).