N-[2-(4-chlorophenyl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide

C19H22ClN3O3S — CID 122175043

IUPACN-[2-(4-chlorophenyl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C19H22ClN3O3S/c20-17-7-5-15(6-8-17)9-11-22-19(24)16-3-2-12-23(14-16)27(25,26)18-4-1-10-21-13-18/h1,4-8,10,13,16H,2-3,9,11-12,14H2,(H,22,24)
InChIKeyABPLJSPYXGEDBF-UHFFFAOYSA-N
MW407.92 g/mol
LogP2.49
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (PubChem CID 122175043) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
PubChem CID122175043
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C19H22ClN3O3S/c20-17-7-5-15(6-8-17)9-11-22-19(24)16-3-2-12-23(14-16)27(25,26)18-4-1-10-21-13-18/h1,4-8,10,13,16H,2-3,9,11-12,14H2,(H,22,24)
InChIKeyABPLJSPYXGEDBF-UHFFFAOYSA-N
XLogP2.49
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 63253265
N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 3242560
N-[(4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 3244935
(3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95828955
(3S)-1-(2,5-dichlorophenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 100801246
1-(2,5-dichlorophenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 133197613
(3S)-N-[3-(4-chlorophenyl)propyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 51587994
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51393659
(3S)-N-[2-(4-fluorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9210573
1-(4-methylphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 133197596
1-(4-chlorophenyl)sulfonyl-N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 55920266
1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 31398646

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (CID 122175043) is N-[2-(4-chlorophenyl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1CCCN(S(=O)(=O)c2cccnc2)C1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is ABPLJSPYXGEDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c20-17-7-5-15(6-8-17)9-11-22-19(24)16-3-2-12-23(14-16)27(25,26)18-4-1-10-21-13-18/h1,4-8,10,13,16H,2-3,9,11-12,14H2,(H,22,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 407.92 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 122175043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).