1-(2,6-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide

C19H27Cl2N3O3S — CID 56509619

IUPAC1-(2,6-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
SMILESCN(CCN1CCCC1)C(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C19H27Cl2N3O3S/c1-22(13-14-23-9-2-3-10-23)19(25)15-7-11-24(12-8-15)28(26,27)18-16(20)5-4-6-17(18)21/h4-6,15H,2-3,7-14H2,1H3
InChIKeyDFOARQAXHYGWGM-UHFFFAOYSA-N
MW448.42 g/mol
LogP2.95
Rot. Bonds6

About 1-(2,6-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide

1-(2,6-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide (PubChem CID 56509619) has the molecular formula C19H27Cl2N3O3S and a molecular weight of 448.42 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
PubChem CID56509619
Molecular FormulaC19H27Cl2N3O3S
Molecular Weight448.42 g/mol
Exact Mass447.12
IUPAC Name1-(2,6-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
SMILESCN(CCN1CCCC1)C(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C19H27Cl2N3O3S/c1-22(13-14-23-9-2-3-10-23)19(25)15-7-11-24(12-8-15)28(26,27)18-16(20)5-4-6-17(18)21/h4-6,15H,2-3,7-14H2,1H3
InChIKeyDFOARQAXHYGWGM-UHFFFAOYSA-N
XLogP2.95
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 56510132
1-(2,6-dichlorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)piperidine-4-carboxamide
CID 55348756
1-(2,6-dichlorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 40630200
N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 78798151
N-benzyl-1-(2,6-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 27826689
[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769479
N-[(2-chlorophenyl)methyl]-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 27773885
1-(4-chlorophenyl)sulfonyl-N-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 2470101
1-(2,6-dichlorophenyl)sulfonyl-N-[3-(N-methylanilino)propyl]piperidine-4-carboxamide
CID 27024550
1-(benzenesulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 27795592
1-(2,6-dichlorophenyl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide
CID 24650065
N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 30278857

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide (CID 56509619) is 1-(2,6-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide is CN(CCN1CCCC1)C(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-(2,6-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
The InChIKey is DFOARQAXHYGWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27Cl2N3O3S/c1-22(13-14-23-9-2-3-10-23)19(25)15-7-11-24(12-8-15)28(26,27)18-16(20)5-4-6-17(18)21/h4-6,15H,2-3,7-14H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
1-(2,6-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide has a molecular weight of 448.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 56509619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).