1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide

C19H22ClN3O3S — CID 31069432

IUPAC1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide
SMILESCCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)c1
InChIInChI=1S/C19H22ClN3O3S/c1-2-14-5-3-6-16(13-14)22-19(24)15-8-11-23(12-9-15)27(25,26)17-7-4-10-21-18(17)20/h3-7,10,13,15H,2,8-9,11-12H2,1H3,(H,22,24)
InChIKeyAALOWKJVHAYHSC-UHFFFAOYSA-N
MW407.92 g/mol
LogP3.34
Rot. Bonds5

About 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide

1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide (PubChem CID 31069432) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide
PubChem CID31069432
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC Name1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide
SMILESCCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)c1
InChIInChI=1S/C19H22ClN3O3S/c1-2-14-5-3-6-16(13-14)22-19(24)15-8-11-23(12-9-15)27(25,26)17-7-4-10-21-18(17)20/h3-7,10,13,15H,2,8-9,11-12H2,1H3,(H,22,24)
InChIKeyAALOWKJVHAYHSC-UHFFFAOYSA-N
XLogP3.34
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 55765789
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethyl-1-methylpyrazol-5-yl)piperidine-4-carboxamide
CID 86961302
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-4-carboxamide
CID 34312301
N-(3-ethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26736509
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-pentan-2-ylpiperidine-4-carboxamide
CID 46512813
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 31304480
N-(5-chloro-2-methylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 31079598
N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810884
N-(3-ethylphenyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 26795902
N-(3-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26795871
N-(2-bromo-4-fluorophenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 55796665
2-chloro-N-(3-ethylphenyl)pyridine-3-sulfonamide
CID 24621325

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide (CID 31069432) is 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide is CCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)c1.
What is the InChIKey of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide?
The InChIKey is AALOWKJVHAYHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-2-14-5-3-6-16(13-14)22-19(24)15-8-11-23(12-9-15)27(25,26)17-7-4-10-21-18(17)20/h3-7,10,13,15H,2,8-9,11-12H2,1H3,(H,22,24).
What are the key properties of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide?
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide has a molecular weight of 407.92 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 31069432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).