N-benzyl-1-(2,6-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide

C22H26Cl2N2O4S — CID 27826689

IUPACN-benzyl-1-(2,6-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C22H26Cl2N2O4S/c1-30-15-14-25(16-17-6-3-2-4-7-17)22(27)18-10-12-26(13-11-18)31(28,29)21-19(23)8-5-9-20(21)24/h2-9,18H,10-16H2,1H3
InChIKeyZIGGJDGASHMYBM-UHFFFAOYSA-N
MW485.43 g/mol
LogP4.07
Rot. Bonds8

About N-benzyl-1-(2,6-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide

N-benzyl-1-(2,6-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 27826689) has the molecular formula C22H26Cl2N2O4S and a molecular weight of 485.43 g/mol. Its IUPAC name is N-benzyl-1-(2,6-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2,6-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID27826689
Molecular FormulaC22H26Cl2N2O4S
Molecular Weight485.43 g/mol
Exact Mass484.10
IUPAC NameN-benzyl-1-(2,6-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C22H26Cl2N2O4S/c1-30-15-14-25(16-17-6-3-2-4-7-17)22(27)18-10-12-26(13-11-18)31(28,29)21-19(23)8-5-9-20(21)24/h2-9,18H,10-16H2,1H3
InChIKeyZIGGJDGASHMYBM-UHFFFAOYSA-N
XLogP4.07
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.43
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dichlorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)piperidine-4-carboxamide
CID 55348756
1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide
CID 26292200
1-benzylsulfonyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 55690489
methyl 3-[benzyl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]amino]propanoate
CID 55513989
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
N-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 15992054
methyl 3-[benzyl-[1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carbonyl]amino]propanoate
CID 55512905
N-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 26292191
N-benzyl-N-ethyl-1-(3-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 71737574
N-benzyl-N-(cyanomethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55864228
N-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63007100
3-(azepan-1-ylsulfonyl)-N-benzyl-4-chloro-N-(2-methoxyethyl)benzamide
CID 26292081

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2,6-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(2,6-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide (CID 27826689) is N-benzyl-1-(2,6-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(2,6-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(2,6-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide is COCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of N-benzyl-1-(2,6-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is ZIGGJDGASHMYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O4S/c1-30-15-14-25(16-17-6-3-2-4-7-17)22(27)18-10-12-26(13-11-18)31(28,29)21-19(23)8-5-9-20(21)24/h2-9,18H,10-16H2,1H3.
What are the key properties of N-benzyl-1-(2,6-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide?
N-benzyl-1-(2,6-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 485.43 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,6-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 27826689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).