4-methylsulfonylpiperazine-1-sulfonyl fluoride

C5H11FN2O4S2 — CID 158269768

IUPAC4-methylsulfonylpiperazine-1-sulfonyl fluoride
SMILESCS(=O)(=O)N1CCN(S(=O)(=O)F)CC1
InChIInChI=1S/C5H11FN2O4S2/c1-13(9,10)7-2-4-8(5-3-7)14(6,11)12/h2-5H2,1H3
InChIKeyIXEWNXLSSCCTFN-UHFFFAOYSA-N
MW246.28 g/mol
LogP-1.22
Rot. Bonds2

About 4-methylsulfonylpiperazine-1-sulfonyl fluoride

4-methylsulfonylpiperazine-1-sulfonyl fluoride (PubChem CID 158269768) has the molecular formula C5H11FN2O4S2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-methylsulfonylpiperazine-1-sulfonyl fluoride.

Molecular Properties

Compound Name4-methylsulfonylpiperazine-1-sulfonyl fluoride
PubChem CID158269768
Molecular FormulaC5H11FN2O4S2
Molecular Weight246.28 g/mol
Exact Mass246.01
IUPAC Name4-methylsulfonylpiperazine-1-sulfonyl fluoride
SMILESCS(=O)(=O)N1CCN(S(=O)(=O)F)CC1
InChIInChI=1S/C5H11FN2O4S2/c1-13(9,10)7-2-4-8(5-3-7)14(6,11)12/h2-5H2,1H3
InChIKeyIXEWNXLSSCCTFN-UHFFFAOYSA-N
XLogP-1.22
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 5-1.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonylpiperazine-1-sulfonyl fluoride?
The IUPAC name of 4-methylsulfonylpiperazine-1-sulfonyl fluoride (CID 158269768) is 4-methylsulfonylpiperazine-1-sulfonyl fluoride.
What is the SMILES notation for 4-methylsulfonylpiperazine-1-sulfonyl fluoride?
The canonical SMILES for 4-methylsulfonylpiperazine-1-sulfonyl fluoride is CS(=O)(=O)N1CCN(S(=O)(=O)F)CC1.
What is the InChIKey of 4-methylsulfonylpiperazine-1-sulfonyl fluoride?
The InChIKey is IXEWNXLSSCCTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FN2O4S2/c1-13(9,10)7-2-4-8(5-3-7)14(6,11)12/h2-5H2,1H3.
What are the key properties of 4-methylsulfonylpiperazine-1-sulfonyl fluoride?
4-methylsulfonylpiperazine-1-sulfonyl fluoride has a molecular weight of 246.28 g/mol, XLogP of -1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonylpiperazine-1-sulfonyl fluoride is sourced from PubChem (CID 158269768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).