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

C11H14BrFN2O2S — CID 104889690

IUPAC(2R)-1-(4-bromo-2-fluorophenyl)sulfonyl-2-methylpiperazine
SMILESC[C@@H]1CNCCN1S(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H14BrFN2O2S/c1-8-7-14-4-5-15(8)18(16,17)11-3-2-9(12)6-10(11)13/h2-3,6,8,14H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyDRHOPSXSHWGXBM-MRVPVSSYSA-N
MW337.21 g/mol
LogP1.57
Rot. Bonds2

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

(2R)-1-(4-bromo-2-fluorophenyl)sulfonyl-2-methylpiperazine (PubChem CID 104889690) has the molecular formula C11H14BrFN2O2S and a molecular weight of 337.21 g/mol. Its IUPAC name is (2R)-1-(4-bromo-2-fluorophenyl)sulfonyl-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-(4-bromo-2-fluorophenyl)sulfonyl-2-methylpiperazine
PubChem CID104889690
Molecular FormulaC11H14BrFN2O2S
Molecular Weight337.21 g/mol
Exact Mass335.99
IUPAC Name(2R)-1-(4-bromo-2-fluorophenyl)sulfonyl-2-methylpiperazine
SMILESC[C@@H]1CNCCN1S(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H14BrFN2O2S/c1-8-7-14-4-5-15(8)18(16,17)11-3-2-9(12)6-10(11)13/h2-3,6,8,14H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyDRHOPSXSHWGXBM-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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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-bromo-2-fluorophenyl)sulfonyl-2-methylpiperazine?
The IUPAC name of (2R)-1-(4-bromo-2-fluorophenyl)sulfonyl-2-methylpiperazine (CID 104889690) is (2R)-1-(4-bromo-2-fluorophenyl)sulfonyl-2-methylpiperazine.
What is the SMILES notation for (2R)-1-(4-bromo-2-fluorophenyl)sulfonyl-2-methylpiperazine?
The canonical SMILES for (2R)-1-(4-bromo-2-fluorophenyl)sulfonyl-2-methylpiperazine is C[C@@H]1CNCCN1S(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of (2R)-1-(4-bromo-2-fluorophenyl)sulfonyl-2-methylpiperazine?
The InChIKey is DRHOPSXSHWGXBM-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2S/c1-8-7-14-4-5-15(8)18(16,17)11-3-2-9(12)6-10(11)13/h2-3,6,8,14H,4-5,7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-1-(4-bromo-2-fluorophenyl)sulfonyl-2-methylpiperazine?
(2R)-1-(4-bromo-2-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-(4-bromo-2-fluorophenyl)sulfonyl-2-methylpiperazine is sourced from PubChem (CID 104889690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).