1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperazine

C11H14BrFN2O2S — CID 103829007

IUPAC1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperazine
SMILESCC1CN(S(=O)(=O)c2ccc(Br)c(F)c2)CCN1
InChIInChI=1S/C11H14BrFN2O2S/c1-8-7-15(5-4-14-8)18(16,17)9-2-3-10(12)11(13)6-9/h2-3,6,8,14H,4-5,7H2,1H3
InChIKeyCEAJFHJEZNKBGA-UHFFFAOYSA-N
MW337.21 g/mol
LogP1.57
Rot. Bonds2

About 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperazine

1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperazine (PubChem CID 103829007) has the molecular formula C11H14BrFN2O2S and a molecular weight of 337.21 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperazine
PubChem CID103829007
Molecular FormulaC11H14BrFN2O2S
Molecular Weight337.21 g/mol
Exact Mass335.99
IUPAC Name1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperazine
SMILESCC1CN(S(=O)(=O)c2ccc(Br)c(F)c2)CCN1
InChIInChI=1S/C11H14BrFN2O2S/c1-8-7-15(5-4-14-8)18(16,17)9-2-3-10(12)11(13)6-9/h2-3,6,8,14H,4-5,7H2,1H3
InChIKeyCEAJFHJEZNKBGA-UHFFFAOYSA-N
XLogP1.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 65448434
(3S)-1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120713062
(3S)-1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylpiperazine
CID 104976522
(3S)-1-(3-bromophenyl)sulfonyl-3-methylpiperazine
CID 104976426
1-(3-bromo-4-nitrophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981813
1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981991
4-(4-bromo-3-fluorophenyl)sulfonyl-2,6-dimethylthiomorpholine
CID 103697971
(3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 104975070
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984110
3-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzenesulfonamide
CID 104975055
1-(4-bromo-3-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine
CID 103697553
(3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120713063

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperazine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperazine (CID 103829007) is 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperazine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperazine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperazine is CC1CN(S(=O)(=O)c2ccc(Br)c(F)c2)CCN1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperazine?
The InChIKey is CEAJFHJEZNKBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2S/c1-8-7-15(5-4-14-8)18(16,17)9-2-3-10(12)11(13)6-9/h2-3,6,8,14H,4-5,7H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperazine?
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperazine has a molecular weight of 337.21 g/mol, XLogP of 1.57, 2 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-3-methylpiperazine is sourced from PubChem (CID 103829007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).