N-(1-adamantyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide

C22H28Cl2N2O3S — CID 26909871

IUPACN-(1-adamantyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C22H28Cl2N2O3S/c23-18-2-1-3-19(24)20(18)30(28,29)26-6-4-17(5-7-26)21(27)25-22-11-14-8-15(12-22)10-16(9-14)13-22/h1-3,14-17H,4-13H2,(H,25,27)
InChIKeyJMUYTYIJFFIKGO-UHFFFAOYSA-N
MW471.45 g/mol
LogP4.48
Rot. Bonds4

About N-(1-adamantyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide

N-(1-adamantyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 26909871) has the molecular formula C22H28Cl2N2O3S and a molecular weight of 471.45 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID26909871
Molecular FormulaC22H28Cl2N2O3S
Molecular Weight471.45 g/mol
Exact Mass470.12
IUPAC NameN-(1-adamantyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C22H28Cl2N2O3S/c23-18-2-1-3-19(24)20(18)30(28,29)26-6-4-17(5-7-26)21(27)25-22-11-14-8-15(12-22)10-16(9-14)13-22/h1-3,14-17H,4-13H2,(H,25,27)
InChIKeyJMUYTYIJFFIKGO-UHFFFAOYSA-N
XLogP4.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dichlorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 40630200
N-(1-adamantyl)-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 41466824
N-(1-adamantyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45019105
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 98701102
N'-(4-bromobenzoyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbohydrazide
CID 2090846
1-(2,6-dichlorophenyl)sulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 46466616
1-(2,6-dichlorophenyl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide
CID 24650065
N-(3-carbamoyl-4-chlorophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 46570709
1-(2,6-dichlorophenyl)sulfonyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 55577188
N-(1-adamantyl)-1-(5-chloro-2-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3230744
(3R)-N-(1-adamantyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 99719214
N-(3-cyanophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 26727729

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide (CID 26909871) is N-(1-adamantyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of N-(1-adamantyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is JMUYTYIJFFIKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28Cl2N2O3S/c23-18-2-1-3-19(24)20(18)30(28,29)26-6-4-17(5-7-26)21(27)25-22-11-14-8-15(12-22)10-16(9-14)13-22/h1-3,14-17H,4-13H2,(H,25,27).
What are the key properties of N-(1-adamantyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide?
N-(1-adamantyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 471.45 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26909871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).