1-(2,5-dibromophenyl)sulfonyl-2-methylpiperidine

C12H15Br2NO2S — CID 5025166

IUPAC1-(2,5-dibromophenyl)sulfonyl-2-methylpiperidine
SMILESCC1CCCCN1S(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H15Br2NO2S/c1-9-4-2-3-7-15(9)18(16,17)12-8-10(13)5-6-11(12)14/h5-6,8-9H,2-4,7H2,1H3
InChIKeyJJBVFUCAGIZBFR-UHFFFAOYSA-N
MW397.13 g/mol
LogP3.77
Rot. Bonds2

About 1-(2,5-dibromophenyl)sulfonyl-2-methylpiperidine

1-(2,5-dibromophenyl)sulfonyl-2-methylpiperidine (PubChem CID 5025166) has the molecular formula C12H15Br2NO2S and a molecular weight of 397.13 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)sulfonyl-2-methylpiperidine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)sulfonyl-2-methylpiperidine
PubChem CID5025166
Molecular FormulaC12H15Br2NO2S
Molecular Weight397.13 g/mol
Exact Mass394.92
IUPAC Name1-(2,5-dibromophenyl)sulfonyl-2-methylpiperidine
SMILESCC1CCCCN1S(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H15Br2NO2S/c1-9-4-2-3-7-15(9)18(16,17)12-8-10(13)5-6-11(12)14/h5-6,8-9H,2-4,7H2,1H3
InChIKeyJJBVFUCAGIZBFR-UHFFFAOYSA-N
XLogP3.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.13
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine
CID 2873404
4-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 65206811
4-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylbenzoic acid
CID 54882639
1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-2-methylpiperidine
CID 3840038
1-(2,5-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969646
1-(4-bromo-3-fluorophenyl)sulfonyl-2-methylazepane
CID 113242607
5-bromo-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62150356
(2S)-1-(4-bromo-3-methoxyphenyl)sulfonyl-2-methylpiperidine
CID 2239887
2-[1-(2,5-dibromophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrrole
CID 17466193
3,5-dibromo-2-(2-methylpiperidin-1-yl)sulfonylaniline
CID 43256908
1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylazepane
CID 106612325
1-[5-bromo-7-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 126478749

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)sulfonyl-2-methylpiperidine?
The IUPAC name of 1-(2,5-dibromophenyl)sulfonyl-2-methylpiperidine (CID 5025166) is 1-(2,5-dibromophenyl)sulfonyl-2-methylpiperidine.
What is the SMILES notation for 1-(2,5-dibromophenyl)sulfonyl-2-methylpiperidine?
The canonical SMILES for 1-(2,5-dibromophenyl)sulfonyl-2-methylpiperidine is CC1CCCCN1S(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)sulfonyl-2-methylpiperidine?
The InChIKey is JJBVFUCAGIZBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2S/c1-9-4-2-3-7-15(9)18(16,17)12-8-10(13)5-6-11(12)14/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of 1-(2,5-dibromophenyl)sulfonyl-2-methylpiperidine?
1-(2,5-dibromophenyl)sulfonyl-2-methylpiperidine has a molecular weight of 397.13 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)sulfonyl-2-methylpiperidine is sourced from PubChem (CID 5025166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).