(3R,6S)-1-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)piperidine-3-sulfonamide

C23H27Cl3N2O2S — CID 46230124

IUPAC(3R,6S)-1-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)piperidine-3-sulfonamide
SMILESO=S(=O)(NC1CCCCC1)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C23H27Cl3N2O2S/c24-16-6-9-19(10-7-16)28-15-20(31(29,30)27-18-4-2-1-3-5-18)11-13-23(28)21-12-8-17(25)14-22(21)26/h6-10,12,14,18,20,23,27H,1-5,11,13,15H2/t20-,23+/m1/s1
InChIKeyITZYSOSIYSLLLF-OFNKIYASSA-N
MW501.91 g/mol
LogP6.61
Rot. Bonds5

About (3R,6S)-1-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)piperidine-3-sulfonamide

(3R,6S)-1-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)piperidine-3-sulfonamide (PubChem CID 46230124) has the molecular formula C23H27Cl3N2O2S and a molecular weight of 501.91 g/mol. Its IUPAC name is (3R,6S)-1-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)piperidine-3-sulfonamide.

Molecular Properties

Compound Name(3R,6S)-1-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)piperidine-3-sulfonamide
PubChem CID46230124
Molecular FormulaC23H27Cl3N2O2S
Molecular Weight501.91 g/mol
Exact Mass500.09
IUPAC Name(3R,6S)-1-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)piperidine-3-sulfonamide
SMILESO=S(=O)(NC1CCCCC1)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C23H27Cl3N2O2S/c24-16-6-9-19(10-7-16)28-15-20(31(29,30)27-18-4-2-1-3-5-18)11-13-23(28)21-12-8-17(25)14-22(21)26/h6-10,12,14,18,20,23,27H,1-5,11,13,15H2/t20-,23+/m1/s1
InChIKeyITZYSOSIYSLLLF-OFNKIYASSA-N
XLogP6.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.91
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,6S)-1-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)piperidine-3-sulfonamide?
The IUPAC name of (3R,6S)-1-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)piperidine-3-sulfonamide (CID 46230124) is (3R,6S)-1-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)piperidine-3-sulfonamide.
What is the SMILES notation for (3R,6S)-1-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)piperidine-3-sulfonamide?
The canonical SMILES for (3R,6S)-1-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)piperidine-3-sulfonamide is O=S(=O)(NC1CCCCC1)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of (3R,6S)-1-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)piperidine-3-sulfonamide?
The InChIKey is ITZYSOSIYSLLLF-OFNKIYASSA-N. The full InChI is InChI=1S/C23H27Cl3N2O2S/c24-16-6-9-19(10-7-16)28-15-20(31(29,30)27-18-4-2-1-3-5-18)11-13-23(28)21-12-8-17(25)14-22(21)26/h6-10,12,14,18,20,23,27H,1-5,11,13,15H2/t20-,23+/m1/s1.
What are the key properties of (3R,6S)-1-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)piperidine-3-sulfonamide?
(3R,6S)-1-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)piperidine-3-sulfonamide has a molecular weight of 501.91 g/mol, XLogP of 6.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-1-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)piperidine-3-sulfonamide is sourced from PubChem (CID 46230124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).