1-(3,4-difluorophenyl)sulfonyl-2,6-dimethylpiperazine

C12H16F2N2O2S — CID 63910406

IUPAC1-(3,4-difluorophenyl)sulfonyl-2,6-dimethylpiperazine
SMILESCC1CNCC(C)N1S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2O2S/c1-8-6-15-7-9(2)16(8)19(17,18)10-3-4-11(13)12(14)5-10/h3-5,8-9,15H,6-7H2,1-2H3
InChIKeyGBLUEQMKFSZFDA-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.34
Rot. Bonds2

About 1-(3,4-difluorophenyl)sulfonyl-2,6-dimethylpiperazine

1-(3,4-difluorophenyl)sulfonyl-2,6-dimethylpiperazine (PubChem CID 63910406) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-2,6-dimethylpiperazine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-2,6-dimethylpiperazine
PubChem CID63910406
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-2,6-dimethylpiperazine
SMILESCC1CNCC(C)N1S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2O2S/c1-8-6-15-7-9(2)16(8)19(17,18)10-3-4-11(13)12(14)5-10/h3-5,8-9,15H,6-7H2,1-2H3
InChIKeyGBLUEQMKFSZFDA-UHFFFAOYSA-N
XLogP1.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-fluorophenyl)sulfonyl-2,6-dimethylpiperazine
CID 107650120
1-(3-fluoro-4-nitrophenyl)sulfonyl-2,6-dimethylpiperazine
CID 82844867
1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine
CID 3701058
1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperazine
CID 63909437
(2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2142612
(2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine
CID 120716934
1-(3-chloro-4-fluorophenyl)sulfonyl-2-methylpiperazine
CID 62672089
(2S)-1-(3,4-difluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 8500012
1-(3-fluoro-4-methylsulfonylphenyl)sulfonyl-2-methylpiperazine
CID 119969695
1-(3-fluoro-4-nitrophenyl)sulfonyl-2,6-dimethylpiperidine
CID 82846610
1-(3-fluoro-4-methylsulfonylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969694
1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120708137

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-2,6-dimethylpiperazine?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-2,6-dimethylpiperazine (CID 63910406) is 1-(3,4-difluorophenyl)sulfonyl-2,6-dimethylpiperazine.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-2,6-dimethylpiperazine?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-2,6-dimethylpiperazine is CC1CNCC(C)N1S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-2,6-dimethylpiperazine?
The InChIKey is GBLUEQMKFSZFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c1-8-6-15-7-9(2)16(8)19(17,18)10-3-4-11(13)12(14)5-10/h3-5,8-9,15H,6-7H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)sulfonyl-2,6-dimethylpiperazine?
1-(3,4-difluorophenyl)sulfonyl-2,6-dimethylpiperazine has a molecular weight of 290.34 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-2,6-dimethylpiperazine is sourced from PubChem (CID 63910406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).