N-(5-chloro-2-piperidin-1-ylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide

C22H26Cl2N4O3S — CID 38705262

IUPACN-(5-chloro-2-piperidin-1-ylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCCCC1)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C22H26Cl2N4O3S/c23-17-6-7-19(27-11-2-1-3-12-27)18(15-17)26-22(29)16-8-13-28(14-9-16)32(30,31)20-5-4-10-25-21(20)24/h4-7,10,15-16H,1-3,8-9,11-14H2,(H,26,29)
InChIKeyBOGJMMVEDXMEHI-UHFFFAOYSA-N
MW497.45 g/mol
LogP4.42
Rot. Bonds5

About N-(5-chloro-2-piperidin-1-ylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide

N-(5-chloro-2-piperidin-1-ylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide (PubChem CID 38705262) has the molecular formula C22H26Cl2N4O3S and a molecular weight of 497.45 g/mol. Its IUPAC name is N-(5-chloro-2-piperidin-1-ylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-piperidin-1-ylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
PubChem CID38705262
Molecular FormulaC22H26Cl2N4O3S
Molecular Weight497.45 g/mol
Exact Mass496.11
IUPAC NameN-(5-chloro-2-piperidin-1-ylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCCCC1)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C22H26Cl2N4O3S/c23-17-6-7-19(27-11-2-1-3-12-27)18(15-17)26-22(29)16-8-13-28(14-9-16)32(30,31)20-5-4-10-25-21(20)24/h4-7,10,15-16H,1-3,8-9,11-14H2,(H,26,29)
InChIKeyBOGJMMVEDXMEHI-UHFFFAOYSA-N
XLogP4.42
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 31079598
N-(2-bromo-4-fluorophenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 55796665
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 134008646
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 31069432
1-(benzenesulfonyl)-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 30862286
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethyl-1-methylpyrazol-5-yl)piperidine-4-carboxamide
CID 86961302
(3R)-N-(5-chloro-2-piperidin-1-ylphenyl)-6-oxopiperidine-3-carboxamide
CID 97076746
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 55765789
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-4-carboxamide
CID 34312301
1-(2,5-dichlorophenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)piperidine-4-carboxamide
CID 46651843
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 55511990
1-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 39752606

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide (CID 38705262) is N-(5-chloro-2-piperidin-1-ylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-piperidin-1-ylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-piperidin-1-ylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide is O=C(Nc1cc(Cl)ccc1N1CCCCC1)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1.
What is the InChIKey of N-(5-chloro-2-piperidin-1-ylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide?
The InChIKey is BOGJMMVEDXMEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N4O3S/c23-17-6-7-19(27-11-2-1-3-12-27)18(15-17)26-22(29)16-8-13-28(14-9-16)32(30,31)20-5-4-10-25-21(20)24/h4-7,10,15-16H,1-3,8-9,11-14H2,(H,26,29).
What are the key properties of N-(5-chloro-2-piperidin-1-ylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide?
N-(5-chloro-2-piperidin-1-ylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 497.45 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-piperidin-1-ylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 38705262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).