1-(4-bromophenyl)sulfonyl-4-methylpiperidine

C12H16BrNO2S — CID 3118654

IUPAC1-(4-bromophenyl)sulfonyl-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H16BrNO2S/c1-10-6-8-14(9-7-10)17(15,16)12-4-2-11(13)3-5-12/h2-5,10H,6-9H2,1H3
InChIKeyGTXWMYDMGGSQOD-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.87
Rot. Bonds2

About 1-(4-bromophenyl)sulfonyl-4-methylpiperidine

1-(4-bromophenyl)sulfonyl-4-methylpiperidine (PubChem CID 3118654) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-4-methylpiperidine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-4-methylpiperidine
PubChem CID3118654
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name1-(4-bromophenyl)sulfonyl-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H16BrNO2S/c1-10-6-8-14(9-7-10)17(15,16)12-4-2-11(13)3-5-12/h2-5,10H,6-9H2,1H3
InChIKeyGTXWMYDMGGSQOD-UHFFFAOYSA-N
XLogP2.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-bromophenoxy)phenyl]sulfonyl-4-methylpiperidine
CID 91806952
4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 841440
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
1-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-ium
CID 6972146
1-[1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonyl-4-methylpiperidine
CID 22579049
[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605295
4-bromo-1-(4-bromophenyl)sulfonyl-3-methylpiperidine
CID 114683729
1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid
CID 737843
1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine
CID 61217397
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-4-methylpiperidine?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-4-methylpiperidine (CID 3118654) is 1-(4-bromophenyl)sulfonyl-4-methylpiperidine.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-4-methylpiperidine?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-4-methylpiperidine is CC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-4-methylpiperidine?
The InChIKey is GTXWMYDMGGSQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-10-6-8-14(9-7-10)17(15,16)12-4-2-11(13)3-5-12/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfonyl-4-methylpiperidine?
1-(4-bromophenyl)sulfonyl-4-methylpiperidine has a molecular weight of 318.24 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-4-methylpiperidine is sourced from PubChem (CID 3118654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).