(2S,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-piperidin-1-ylsulfonylpiperidine

C22H25Cl3N2O2S — CID 46230125

IUPAC(2S,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-piperidin-1-ylsulfonylpiperidine
SMILESO=S(=O)([C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1)N1CCCCC1
InChIInChI=1S/C22H25Cl3N2O2S/c23-16-4-7-18(8-5-16)27-15-19(30(28,29)26-12-2-1-3-13-26)9-11-22(27)20-10-6-17(24)14-21(20)25/h4-8,10,14,19,22H,1-3,9,11-13,15H2/t19-,22+/m1/s1
InChIKeyVDSGSYWIJMZIBT-KNQAVFIVSA-N
MW487.88 g/mol
LogP6.17
Rot. Bonds4

About (2S,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-piperidin-1-ylsulfonylpiperidine

(2S,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-piperidin-1-ylsulfonylpiperidine (PubChem CID 46230125) has the molecular formula C22H25Cl3N2O2S and a molecular weight of 487.88 g/mol. Its IUPAC name is (2S,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-piperidin-1-ylsulfonylpiperidine.

Molecular Properties

Compound Name(2S,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-piperidin-1-ylsulfonylpiperidine
PubChem CID46230125
Molecular FormulaC22H25Cl3N2O2S
Molecular Weight487.88 g/mol
Exact Mass486.07
IUPAC Name(2S,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-piperidin-1-ylsulfonylpiperidine
SMILESO=S(=O)([C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1)N1CCCCC1
InChIInChI=1S/C22H25Cl3N2O2S/c23-16-4-7-18(8-5-16)27-15-19(30(28,29)26-12-2-1-3-13-26)9-11-22(27)20-10-6-17(24)14-21(20)25/h4-8,10,14,19,22H,1-3,9,11-13,15H2/t19-,22+/m1/s1
InChIKeyVDSGSYWIJMZIBT-KNQAVFIVSA-N
XLogP6.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.88
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-piperidin-1-ylsulfonylpiperidine 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 (2S,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-piperidin-1-ylsulfonylpiperidine?
The IUPAC name of (2S,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-piperidin-1-ylsulfonylpiperidine (CID 46230125) is (2S,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-piperidin-1-ylsulfonylpiperidine.
What is the SMILES notation for (2S,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-piperidin-1-ylsulfonylpiperidine?
The canonical SMILES for (2S,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-piperidin-1-ylsulfonylpiperidine is O=S(=O)([C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1)N1CCCCC1.
What is the InChIKey of (2S,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-piperidin-1-ylsulfonylpiperidine?
The InChIKey is VDSGSYWIJMZIBT-KNQAVFIVSA-N. The full InChI is InChI=1S/C22H25Cl3N2O2S/c23-16-4-7-18(8-5-16)27-15-19(30(28,29)26-12-2-1-3-13-26)9-11-22(27)20-10-6-17(24)14-21(20)25/h4-8,10,14,19,22H,1-3,9,11-13,15H2/t19-,22+/m1/s1.
What are the key properties of (2S,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-piperidin-1-ylsulfonylpiperidine?
(2S,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-piperidin-1-ylsulfonylpiperidine has a molecular weight of 487.88 g/mol, XLogP of 6.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-piperidin-1-ylsulfonylpiperidine is sourced from PubChem (CID 46230125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).