(2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine

C11H14F2N2O2S — CID 82756368

IUPAC(2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine
SMILESC[C@H]1CNCCN1S(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H14F2N2O2S/c1-8-7-14-2-3-15(8)18(16,17)11-5-9(12)4-10(13)6-11/h4-6,8,14H,2-3,7H2,1H3/t8-/m0/s1
InChIKeySUAZHUXVXAYNKO-QMMMGPOBSA-N
MW276.31 g/mol
LogP0.95
Rot. Bonds2

About (2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine

(2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine (PubChem CID 82756368) has the molecular formula C11H14F2N2O2S and a molecular weight of 276.31 g/mol. Its IUPAC name is (2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine.

Molecular Properties

Compound Name(2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine
PubChem CID82756368
Molecular FormulaC11H14F2N2O2S
Molecular Weight276.31 g/mol
Exact Mass276.07
IUPAC Name(2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine
SMILESC[C@H]1CNCCN1S(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H14F2N2O2S/c1-8-7-14-2-3-15(8)18(16,17)11-5-9(12)4-10(13)6-11/h4-6,8,14H,2-3,7H2,1H3/t8-/m0/s1
InChIKeySUAZHUXVXAYNKO-QMMMGPOBSA-N
XLogP0.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716849
(2S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]-2-methylpiperazine
CID 82755664
1-(3-bromo-5-methylphenyl)sulfonyl-2-methylpiperazine
CID 120708117
1-(3-chloro-4-fluorophenyl)sulfonyl-2-methylpiperazine
CID 62672089
1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperazine
CID 62672617
(2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine
CID 120716934
1-(3-fluoro-4-methylsulfonylphenyl)sulfonyl-2-methylpiperazine
CID 119969695
(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine
CID 82755760
1-(3-fluoro-4-methyl-5-nitrophenyl)sulfonyl-2-methylpiperazine
CID 120708067
(2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716906
(2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine
CID 82755571
1-(3-fluoro-4-methylsulfonylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969694

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine?
The IUPAC name of (2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine (CID 82756368) is (2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine.
What is the SMILES notation for (2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine?
The canonical SMILES for (2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine is C[C@H]1CNCCN1S(=O)(=O)c1cc(F)cc(F)c1.
What is the InChIKey of (2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine?
The InChIKey is SUAZHUXVXAYNKO-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14F2N2O2S/c1-8-7-14-2-3-15(8)18(16,17)11-5-9(12)4-10(13)6-11/h4-6,8,14H,2-3,7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine?
(2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine has a molecular weight of 276.31 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine is sourced from PubChem (CID 82756368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).