1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperidine

C12H14BrF2NO2S — CID 54917710

IUPAC1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperidine
SMILESCC1CCCCN1S(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C12H14BrF2NO2S/c1-8-4-2-3-5-16(8)19(17,18)12-10(13)6-9(14)7-11(12)15/h6-8H,2-5H2,1H3
InChIKeyJCIMZMCCXUPRDN-UHFFFAOYSA-N
MW354.22 g/mol
LogP3.29
Rot. Bonds2

About 1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperidine

1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperidine (PubChem CID 54917710) has the molecular formula C12H14BrF2NO2S and a molecular weight of 354.22 g/mol. Its IUPAC name is 1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperidine.

Molecular Properties

Compound Name1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperidine
PubChem CID54917710
Molecular FormulaC12H14BrF2NO2S
Molecular Weight354.22 g/mol
Exact Mass352.99
IUPAC Name1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperidine
SMILESCC1CCCCN1S(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C12H14BrF2NO2S/c1-8-4-2-3-5-16(8)19(17,18)12-10(13)6-9(14)7-11(12)15/h6-8H,2-5H2,1H3
InChIKeyJCIMZMCCXUPRDN-UHFFFAOYSA-N
XLogP3.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,6R)-1-(2-bromo-4,6-difluorophenyl)sulfonyl-2,6-dimethylpiperidine
CID 104968320
1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidine-2-carbaldehyde
CID 63846387
1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2-methylazepane
CID 107327191
1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperazine
CID 62672617
1-(4-bromo-3-fluorophenyl)sulfonyl-2-methylazepane
CID 113242607
methyl 1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 43409886
3,5-dibromo-2-(2-methylpiperidin-1-yl)sulfonylaniline
CID 43256908
[1-(2-bromo-4,6-difluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102786095
1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine
CID 3701058
1-(2,5-dibromophenyl)sulfonyl-2-methylpiperidine
CID 5025166
2-methyl-1-(2,4,6-trifluorophenyl)sulfonylpiperidin-4-amine
CID 115312594
1-(2-bromo-4,6-difluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine
CID 115300442

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperidine?
The IUPAC name of 1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperidine (CID 54917710) is 1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperidine.
What is the SMILES notation for 1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperidine?
The canonical SMILES for 1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperidine is CC1CCCCN1S(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperidine?
The InChIKey is JCIMZMCCXUPRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2NO2S/c1-8-4-2-3-5-16(8)19(17,18)12-10(13)6-9(14)7-11(12)15/h6-8H,2-5H2,1H3.
What are the key properties of 1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperidine?
1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperidine has a molecular weight of 354.22 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperidine is sourced from PubChem (CID 54917710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).