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

C11H13BrF2N2O2S — CID 62672617

IUPAC1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperazine
SMILESCC1CNCCN1S(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C11H13BrF2N2O2S/c1-7-6-15-2-3-16(7)19(17,18)11-9(12)4-8(13)5-10(11)14/h4-5,7,15H,2-3,6H2,1H3
InChIKeyYLYYOYBWGGHJNS-UHFFFAOYSA-N
MW355.20 g/mol
LogP1.71
Rot. Bonds2

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

1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperazine (PubChem CID 62672617) has the molecular formula C11H13BrF2N2O2S and a molecular weight of 355.20 g/mol. Its IUPAC name is 1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperazine.

Molecular Properties

Compound Name1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperazine
PubChem CID62672617
Molecular FormulaC11H13BrF2N2O2S
Molecular Weight355.20 g/mol
Exact Mass353.98
IUPAC Name1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperazine
SMILESCC1CNCCN1S(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C11H13BrF2N2O2S/c1-7-6-15-2-3-16(7)19(17,18)11-9(12)4-8(13)5-10(11)14/h4-5,7,15H,2-3,6H2,1H3
InChIKeyYLYYOYBWGGHJNS-UHFFFAOYSA-N
XLogP1.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperazine?
The IUPAC name of 1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperazine (CID 62672617) is 1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperazine.
What is the SMILES notation for 1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperazine?
The canonical SMILES for 1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperazine is CC1CNCCN1S(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperazine?
The InChIKey is YLYYOYBWGGHJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2N2O2S/c1-7-6-15-2-3-16(7)19(17,18)11-9(12)4-8(13)5-10(11)14/h4-5,7,15H,2-3,6H2,1H3.
What are the key properties of 1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperazine?
1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperazine has a molecular weight of 355.20 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperazine is sourced from PubChem (CID 62672617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).