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

C17H16BrClFN3O3S — CID 55796665

IUPACN-(2-bromo-4-fluorophenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1Br)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C17H16BrClFN3O3S/c18-13-10-12(20)3-4-14(13)22-17(24)11-5-8-23(9-6-11)27(25,26)15-2-1-7-21-16(15)19/h1-4,7,10-11H,5-6,8-9H2,(H,22,24)
InChIKeyNJSSWHKJGUPPOL-UHFFFAOYSA-N
MW476.76 g/mol
LogP3.68
Rot. Bonds4

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

N-(2-bromo-4-fluorophenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide (PubChem CID 55796665) has the molecular formula C17H16BrClFN3O3S and a molecular weight of 476.76 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
PubChem CID55796665
Molecular FormulaC17H16BrClFN3O3S
Molecular Weight476.76 g/mol
Exact Mass474.98
IUPAC NameN-(2-bromo-4-fluorophenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1Br)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C17H16BrClFN3O3S/c18-13-10-12(20)3-4-14(13)22-17(24)11-5-8-23(9-6-11)27(25,26)15-2-1-7-21-16(15)19/h1-4,7,10-11H,5-6,8-9H2,(H,22,24)
InChIKeyNJSSWHKJGUPPOL-UHFFFAOYSA-N
XLogP3.68
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.76
LogP ≤ 53.68
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

N-(5-chloro-2-methylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 31079598
N-(2-chloro-4-fluorophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26692819
N-(5-chloro-2-piperidin-1-ylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 38705262
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-4-carboxamide
CID 34312301
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 31069432
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-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 55765789
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-pentan-2-ylpiperidine-4-carboxamide
CID 46512813
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 31122765
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide
CID 55794396
3-(azepan-1-ylsulfonyl)-N-(2-bromo-4-fluorophenyl)-4-chlorobenzamide
CID 55796442
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 55511990

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide (CID 55796665) is N-(2-bromo-4-fluorophenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide is O=C(Nc1ccc(F)cc1Br)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide?
The InChIKey is NJSSWHKJGUPPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClFN3O3S/c18-13-10-12(20)3-4-14(13)22-17(24)11-5-8-23(9-6-11)27(25,26)15-2-1-7-21-16(15)19/h1-4,7,10-11H,5-6,8-9H2,(H,22,24).
What are the key properties of N-(2-bromo-4-fluorophenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide?
N-(2-bromo-4-fluorophenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 476.76 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 55796665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).