N-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C17H17BrFN3O3S — CID 20851605

IUPACN-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C17H17BrFN3O3S/c18-13-3-4-16(15(19)10-13)21-17(23)12-5-8-22(9-6-12)26(24,25)14-2-1-7-20-11-14/h1-4,7,10-12H,5-6,8-9H2,(H,21,23)
InChIKeyOQUQWGGRWHZFIZ-UHFFFAOYSA-N
MW442.31 g/mol
LogP3.02
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 20851605) has the molecular formula C17H17BrFN3O3S and a molecular weight of 442.31 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID20851605
Molecular FormulaC17H17BrFN3O3S
Molecular Weight442.31 g/mol
Exact Mass441.02
IUPAC NameN-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C17H17BrFN3O3S/c18-13-3-4-16(15(19)10-13)21-17(23)12-5-8-22(9-6-12)26(24,25)14-2-1-7-20-11-14/h1-4,7,10-12H,5-6,8-9H2,(H,21,23)
InChIKeyOQUQWGGRWHZFIZ-UHFFFAOYSA-N
XLogP3.02
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-(4-bromo-2-fluorophenyl)piperidine-4-carboxamide
CID 4656098
N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 40637703
(3S)-1-(benzenesulfonyl)-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide
CID 27160447
N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55819342
1-pyridin-3-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 20851608
N-(4-piperidin-1-ylsulfonylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55603379
N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 20851619
N-(4-methylsulfanylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46602451
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30895991
N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide
CID 30892749
N'-(4-fluorobenzoyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide
CID 30885794
N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55807191

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 20851605) is N-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is O=C(Nc1ccc(Br)cc1F)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is OQUQWGGRWHZFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN3O3S/c18-13-3-4-16(15(19)10-13)21-17(23)12-5-8-22(9-6-12)26(24,25)14-2-1-7-20-11-14/h1-4,7,10-12H,5-6,8-9H2,(H,21,23).
What are the key properties of N-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 442.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 20851605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).