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

C22H27Cl3N2O2S — CID 46216705

IUPAC(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(3-methylbutyl)piperidine-3-sulfonamide
SMILESCC(C)CCNS(=O)(=O)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H27Cl3N2O2S/c1-15(2)11-12-26-30(28,29)19-8-10-22(20-9-5-17(24)13-21(20)25)27(14-19)18-6-3-16(23)4-7-18/h3-7,9,13,15,19,22,26H,8,10-12,14H2,1-2H3/t19-,22+/m1/s1
InChIKeyKSDRPQTZVHRPOI-KNQAVFIVSA-N
MW489.90 g/mol
LogP6.32
Rot. Bonds7

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

(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(3-methylbutyl)piperidine-3-sulfonamide (PubChem CID 46216705) has the molecular formula C22H27Cl3N2O2S and a molecular weight of 489.90 g/mol. Its IUPAC name is (3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(3-methylbutyl)piperidine-3-sulfonamide.

Molecular Properties

Compound Name(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(3-methylbutyl)piperidine-3-sulfonamide
PubChem CID46216705
Molecular FormulaC22H27Cl3N2O2S
Molecular Weight489.90 g/mol
Exact Mass488.09
IUPAC Name(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(3-methylbutyl)piperidine-3-sulfonamide
SMILESCC(C)CCNS(=O)(=O)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H27Cl3N2O2S/c1-15(2)11-12-26-30(28,29)19-8-10-22(20-9-5-17(24)13-21(20)25)27(14-19)18-6-3-16(23)4-7-18/h3-7,9,13,15,19,22,26H,8,10-12,14H2,1-2H3/t19-,22+/m1/s1
InChIKeyKSDRPQTZVHRPOI-KNQAVFIVSA-N
XLogP6.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.90
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]methanesulfonamide
CID 2738598
N-(2-((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)ethyl)cyclopropanesulfonamide
CID 46216704
((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)methanamine
CID 46229782
2-((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)ethanamine
CID 46229896
N-(2-((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)ethyl)-4-cyanobenzenesulfonamide
CID 46229897
N-(2-((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)ethyl)acetamide
CID 46229969
1-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)methyl)-4-(methylsulfonyl)piperazine
CID 46230016
1-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)methyl)-4-(cyclopropylsulfonyl)piperazine
CID 46230017
(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-isobutylpiperidine-3-sulfonamide
CID 46216706
N-(((3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)methyl)propane-1-sulfonamide
CID 46229827
N-(((3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)methyl)cyclopropanesulfonamide
CID 46229828
N-(2-(1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)ethyl)cyclopropanesulfonamide
CID 46229971

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(3-methylbutyl)piperidine-3-sulfonamide?
The IUPAC name of (3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(3-methylbutyl)piperidine-3-sulfonamide (CID 46216705) is (3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(3-methylbutyl)piperidine-3-sulfonamide.
What is the SMILES notation for (3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(3-methylbutyl)piperidine-3-sulfonamide?
The canonical SMILES for (3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(3-methylbutyl)piperidine-3-sulfonamide is CC(C)CCNS(=O)(=O)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of (3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(3-methylbutyl)piperidine-3-sulfonamide?
The InChIKey is KSDRPQTZVHRPOI-KNQAVFIVSA-N. The full InChI is InChI=1S/C22H27Cl3N2O2S/c1-15(2)11-12-26-30(28,29)19-8-10-22(20-9-5-17(24)13-21(20)25)27(14-19)18-6-3-16(23)4-7-18/h3-7,9,13,15,19,22,26H,8,10-12,14H2,1-2H3/t19-,22+/m1/s1.
What are the key properties of (3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(3-methylbutyl)piperidine-3-sulfonamide?
(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(3-methylbutyl)piperidine-3-sulfonamide has a molecular weight of 489.90 g/mol, XLogP of 6.32, 7 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)-6-(2,4-dichlorophenyl)-N-(3-methylbutyl)piperidine-3-sulfonamide is sourced from PubChem (CID 46216705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).