1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine

C11H14F2N2O4S2 — CID 19684016

IUPAC1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C11H14F2N2O4S2/c1-20(16,17)14-4-6-15(7-5-14)21(18,19)11-3-2-9(12)8-10(11)13/h2-3,8H,4-7H2,1H3
InChIKeyCXTRGIPKXKWGPW-UHFFFAOYSA-N
MW340.37 g/mol
LogP0.23
Rot. Bonds3

About 1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine

1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine (PubChem CID 19684016) has the molecular formula C11H14F2N2O4S2 and a molecular weight of 340.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
PubChem CID19684016
Molecular FormulaC11H14F2N2O4S2
Molecular Weight340.37 g/mol
Exact Mass340.04
IUPAC Name1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C11H14F2N2O4S2/c1-20(16,17)14-4-6-15(7-5-14)21(18,19)11-3-2-9(12)8-10(11)13/h2-3,8H,4-7H2,1H3
InChIKeyCXTRGIPKXKWGPW-UHFFFAOYSA-N
XLogP0.23
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 116528265
4-cyclopropylidene-1-(2,4-difluorophenyl)sulfonylpiperidine
CID 121187241
1-(2,4-difluorophenyl)sulfonyl-4-(4-ethylphenyl)sulfonylpiperazine
CID 19684620
(3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 2409021
1-(2,6-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 26947080
1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 51169740
methyl 4-(2,4-difluorophenyl)sulfonylpiperazine-1-carboxylate
CID 110818577
1-(2,4-difluorophenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine
CID 8771509
1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119979918
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 60673369
4-(2,4-difluorophenyl)sulfonyl-N-methylpiperazine-1-carbothioamide
CID 9096997
1,4-bis[(4-fluoro-2-methylphenyl)sulfonyl]-1,4-diazepane
CID 52559280

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine (CID 19684016) is 1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine is CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine?
The InChIKey is CXTRGIPKXKWGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O4S2/c1-20(16,17)14-4-6-15(7-5-14)21(18,19)11-3-2-9(12)8-10(11)13/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine?
1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine has a molecular weight of 340.37 g/mol, XLogP of 0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine is sourced from PubChem (CID 19684016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).