N-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-3-carboxamide

C17H16BrF2N3O3S — CID 55815983

IUPACN-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCCN(S(=O)(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C17H16BrF2N3O3S/c18-12-3-6-16(21-9-12)22-17(24)11-2-1-7-23(10-11)27(25,26)15-8-13(19)4-5-14(15)20/h3-6,8-9,11H,1-2,7,10H2,(H,21,22,24)
InChIKeyPQKMXXKIMLPLID-UHFFFAOYSA-N
MW460.30 g/mol
LogP3.16
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-3-carboxamide

N-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 55815983) has the molecular formula C17H16BrF2N3O3S and a molecular weight of 460.30 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-3-carboxamide
PubChem CID55815983
Molecular FormulaC17H16BrF2N3O3S
Molecular Weight460.30 g/mol
Exact Mass459.01
IUPAC NameN-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCCN(S(=O)(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C17H16BrF2N3O3S/c18-12-3-6-16(21-9-12)22-17(24)11-2-1-7-23(10-11)27(25,26)15-8-13(19)4-5-14(15)20/h3-6,8-9,11H,1-2,7,10H2,(H,21,22,24)
InChIKeyPQKMXXKIMLPLID-UHFFFAOYSA-N
XLogP3.16
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-3-carboxamide
CID 60542624
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CID 55816046
1-[1-(2,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanone
CID 63846761
N-(5-bromo-2-pyridinyl)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxamide
CID 55992546
(3R)-1-(4-bromophenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 26028129
N-(5-chloro-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidine-3-carboxamide
CID 55914179
1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 43042605
(3R)-N-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 26690844
N-(3-bromophenyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 46823369
N-(2,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43872989
(3S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 41302452
N-(5-bromo-2-pyridinyl)-1-[2-(4-chlorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide
CID 55992804

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-3-carboxamide (CID 55815983) is N-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-3-carboxamide is O=C(Nc1ccc(Br)cn1)C1CCCN(S(=O)(=O)c2cc(F)ccc2F)C1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is PQKMXXKIMLPLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF2N3O3S/c18-12-3-6-16(21-9-12)22-17(24)11-2-1-7-23(10-11)27(25,26)15-8-13(19)4-5-14(15)20/h3-6,8-9,11H,1-2,7,10H2,(H,21,22,24).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-3-carboxamide?
N-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 460.30 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55815983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).