1-(4-bromo-3-fluorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide

C13H16BrFN2O3S — CID 103697332

IUPAC1-(4-bromo-3-fluorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H16BrFN2O3S/c1-16-13(18)12-4-2-3-7-17(12)21(19,20)9-5-6-10(14)11(15)8-9/h5-6,8,12H,2-4,7H2,1H3,(H,16,18)
InChIKeyLIJOSUNFCGIJEN-UHFFFAOYSA-N
MW379.25 g/mol
LogP1.88
Rot. Bonds3

About 1-(4-bromo-3-fluorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide

1-(4-bromo-3-fluorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide (PubChem CID 103697332) has the molecular formula C13H16BrFN2O3S and a molecular weight of 379.25 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide
PubChem CID103697332
Molecular FormulaC13H16BrFN2O3S
Molecular Weight379.25 g/mol
Exact Mass378.00
IUPAC Name1-(4-bromo-3-fluorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H16BrFN2O3S/c1-16-13(18)12-4-2-3-7-17(12)21(19,20)9-5-6-10(14)11(15)8-9/h5-6,8,12H,2-4,7H2,1H3,(H,16,18)
InChIKeyLIJOSUNFCGIJEN-UHFFFAOYSA-N
XLogP1.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-fluorophenyl)sulfonyl-2-methylazepane
CID 113242607
(2S)-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-2-carbothioamide;(2S)-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide
CID 157080497
1-[4-(bromomethyl)phenyl]sulfonyl-N-methylpiperidine-2-carboxamide
CID 65480615
N-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide
CID 47026868
1-(4-bromophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-2-carboxamide
CID 42933740
1-(3,4-difluorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 43235907
1-[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965451
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
CID 18846703
(2S)-1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-fluorophenyl)piperidine-2-carboxamide
CID 26026607
1-(4-bromo-3-fluorophenyl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 107649963
1-(4-bromophenyl)sulfonyl-N-(4-fluoro-2-methylphenyl)piperidine-2-carboxamide
CID 50762358
1-(3-amino-4-bromophenyl)sulfonylpiperidine-2-carboxamide
CID 115328958

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide (CID 103697332) is 1-(4-bromo-3-fluorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1S(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide?
The InChIKey is LIJOSUNFCGIJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O3S/c1-16-13(18)12-4-2-3-7-17(12)21(19,20)9-5-6-10(14)11(15)8-9/h5-6,8,12H,2-4,7H2,1H3,(H,16,18).
What are the key properties of 1-(4-bromo-3-fluorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide?
1-(4-bromo-3-fluorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide has a molecular weight of 379.25 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 103697332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).