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

C11H14BrFN2O2S — CID 104975070

IUPAC(3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperazine
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Br)CCN1
InChIInChI=1S/C11H14BrFN2O2S/c1-8-7-15(5-4-14-8)18(16,17)11-3-2-9(13)6-10(11)12/h2-3,6,8,14H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyOIPLXEHBUYFESB-MRVPVSSYSA-N
MW337.21 g/mol
LogP1.57
Rot. Bonds2

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

(3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperazine (PubChem CID 104975070) has the molecular formula C11H14BrFN2O2S and a molecular weight of 337.21 g/mol. Its IUPAC name is (3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperazine
PubChem CID104975070
Molecular FormulaC11H14BrFN2O2S
Molecular Weight337.21 g/mol
Exact Mass335.99
IUPAC Name(3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperazine
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Br)CCN1
InChIInChI=1S/C11H14BrFN2O2S/c1-8-7-15(5-4-14-8)18(16,17)11-3-2-9(13)6-10(11)12/h2-3,6,8,14H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyOIPLXEHBUYFESB-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-(2,5-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981939
(3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120713063
(3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidine
CID 93302829
1-(3-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120710424
4-(2-bromo-4-fluorophenyl)sulfonyl-2-methylmorpholine
CID 47257439
1-(4-bromo-2-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120710377
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperazine
CID 103829007
1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 55030126
1-(2-bromo-4-fluorophenyl)sulfonyl-3-propan-2-ylpyrrolidine
CID 113254437
1-(2-bromo-4-fluorophenyl)sulfonyl-3-propylpyrrolidine
CID 112695935
(3S)-1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993532
1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981991

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperazine?
The IUPAC name of (3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperazine (CID 104975070) is (3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperazine.
What is the SMILES notation for (3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperazine?
The canonical SMILES for (3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperazine is C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Br)CCN1.
What is the InChIKey of (3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperazine?
The InChIKey is OIPLXEHBUYFESB-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2S/c1-8-7-15(5-4-14-8)18(16,17)11-3-2-9(13)6-10(11)12/h2-3,6,8,14H,4-5,7H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperazine?
(3R)-1-(2-bromo-4-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 (3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperazine is sourced from PubChem (CID 104975070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).