1-(2,6-dichlorophenyl)sulfonyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide

C21H24Cl2N2O3S2 — CID 46461137

IUPAC1-(2,6-dichlorophenyl)sulfonyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide
SMILESCSc1ccc(C(C)NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C21H24Cl2N2O3S2/c1-14(15-6-8-17(29-2)9-7-15)24-21(26)16-10-12-25(13-11-16)30(27,28)20-18(22)4-3-5-19(20)23/h3-9,14,16H,10-13H2,1-2H3,(H,24,26)
InChIKeyWIYHFIBUEVJVSR-UHFFFAOYSA-N
MW487.47 g/mol
LogP4.99
Rot. Bonds6

About 1-(2,6-dichlorophenyl)sulfonyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide

1-(2,6-dichlorophenyl)sulfonyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 46461137) has the molecular formula C21H24Cl2N2O3S2 and a molecular weight of 487.47 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)sulfonyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)sulfonyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID46461137
Molecular FormulaC21H24Cl2N2O3S2
Molecular Weight487.47 g/mol
Exact Mass486.06
IUPAC Name1-(2,6-dichlorophenyl)sulfonyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide
SMILESCSc1ccc(C(C)NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C21H24Cl2N2O3S2/c1-14(15-6-8-17(29-2)9-7-15)24-21(26)16-10-12-25(13-11-16)30(27,28)20-18(22)4-3-5-19(20)23/h3-9,14,16H,10-13H2,1-2H3,(H,24,26)
InChIKeyWIYHFIBUEVJVSR-UHFFFAOYSA-N
XLogP4.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.47
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dichlorophenyl)sulfonyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 55577188
N-[(1S)-1-(4-methylphenyl)ethyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 99131688
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide
CID 43873075
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide
CID 34483284
N-[1-(4-chlorophenyl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55336180
1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 43910264
1-(2,6-dichlorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 40630200
N-(2,4-dimethylpentan-3-yl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 9180026
1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 28572355
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 27782107
1-(benzenesulfonyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 26957904
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 98701102

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide (CID 46461137) is 1-(2,6-dichlorophenyl)sulfonyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)sulfonyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)sulfonyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide is CSc1ccc(C(C)NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1.
What is the InChIKey of 1-(2,6-dichlorophenyl)sulfonyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is WIYHFIBUEVJVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O3S2/c1-14(15-6-8-17(29-2)9-7-15)24-21(26)16-10-12-25(13-11-16)30(27,28)20-18(22)4-3-5-19(20)23/h3-9,14,16H,10-13H2,1-2H3,(H,24,26).
What are the key properties of 1-(2,6-dichlorophenyl)sulfonyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide?
1-(2,6-dichlorophenyl)sulfonyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 487.47 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)sulfonyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46461137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).