(2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine

C11H14BrFN2O2S — CID 120716934

IUPAC(2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine
SMILESC[C@@H]1CNCCN1S(=O)(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H14BrFN2O2S/c1-8-7-14-4-5-15(8)18(16,17)9-2-3-11(13)10(12)6-9/h2-3,6,8,14H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyZFJVSLKIVFOAKP-MRVPVSSYSA-N
MW337.21 g/mol
LogP1.57
Rot. Bonds2

About (2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine

(2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine (PubChem CID 120716934) has the molecular formula C11H14BrFN2O2S and a molecular weight of 337.21 g/mol. Its IUPAC name is (2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine
PubChem CID120716934
Molecular FormulaC11H14BrFN2O2S
Molecular Weight337.21 g/mol
Exact Mass335.99
IUPAC Name(2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine
SMILESC[C@@H]1CNCCN1S(=O)(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H14BrFN2O2S/c1-8-7-14-4-5-15(8)18(16,17)9-2-3-11(13)10(12)6-9/h2-3,6,8,14H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyZFJVSLKIVFOAKP-MRVPVSSYSA-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-2-methylpiperazine
CID 62672089
(2R)-1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716985
1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120708137
(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716815
1-(3-fluoro-4-methylsulfonylphenyl)sulfonyl-2-methylpiperazine
CID 119969695
2-fluoro-5-(2-methylpiperazin-1-yl)sulfonylbenzonitrile;hydrochloride
CID 119969888
1-(3-fluoro-4-methylsulfonylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969694
(2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716906
(2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine
CID 82756368
(2R)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716849
1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperazine
CID 62672617
(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine
CID 82755760

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine?
The IUPAC name of (2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine (CID 120716934) is (2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine.
What is the SMILES notation for (2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine?
The canonical SMILES for (2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine is C[C@@H]1CNCCN1S(=O)(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of (2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine?
The InChIKey is ZFJVSLKIVFOAKP-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2S/c1-8-7-14-4-5-15(8)18(16,17)9-2-3-11(13)10(12)6-9/h2-3,6,8,14H,4-5,7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine?
(2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-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 (2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine is sourced from PubChem (CID 120716934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).