piperazine-1-sulfonyl fluoride;hydrochloride

C4H10ClFN2O2S — CID 138987571

IUPACpiperazine-1-sulfonyl fluoride;hydrochloride
SMILESCl.O=S(=O)(F)N1CCNCC1
InChIInChI=1S/C4H9FN2O2S.ClH/c5-10(8,9)7-3-1-6-2-4-7;/h6H,1-4H2;1H
InChIKeyKGTAIEVEJBDLPU-UHFFFAOYSA-N
MW204.65 g/mol
LogP-0.47
Rot. Bonds1

About piperazine-1-sulfonyl fluoride;hydrochloride

piperazine-1-sulfonyl fluoride;hydrochloride (PubChem CID 138987571) has the molecular formula C4H10ClFN2O2S and a molecular weight of 204.65 g/mol. Its IUPAC name is piperazine-1-sulfonyl fluoride;hydrochloride.

Molecular Properties

Compound Namepiperazine-1-sulfonyl fluoride;hydrochloride
PubChem CID138987571
Molecular FormulaC4H10ClFN2O2S
Molecular Weight204.65 g/mol
Exact Mass204.01
IUPAC Namepiperazine-1-sulfonyl fluoride;hydrochloride
SMILESCl.O=S(=O)(F)N1CCNCC1
InChIInChI=1S/C4H9FN2O2S.ClH/c5-10(8,9)7-3-1-6-2-4-7;/h6H,1-4H2;1H
InChIKeyKGTAIEVEJBDLPU-UHFFFAOYSA-N
XLogP-0.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.65
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperazine-1-sulfonyl fluoride;hydrochloride?
The IUPAC name of piperazine-1-sulfonyl fluoride;hydrochloride (CID 138987571) is piperazine-1-sulfonyl fluoride;hydrochloride.
What is the SMILES notation for piperazine-1-sulfonyl fluoride;hydrochloride?
The canonical SMILES for piperazine-1-sulfonyl fluoride;hydrochloride is Cl.O=S(=O)(F)N1CCNCC1.
What is the InChIKey of piperazine-1-sulfonyl fluoride;hydrochloride?
The InChIKey is KGTAIEVEJBDLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FN2O2S.ClH/c5-10(8,9)7-3-1-6-2-4-7;/h6H,1-4H2;1H.
What are the key properties of piperazine-1-sulfonyl fluoride;hydrochloride?
piperazine-1-sulfonyl fluoride;hydrochloride has a molecular weight of 204.65 g/mol, XLogP of -0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-1-sulfonyl fluoride;hydrochloride is sourced from PubChem (CID 138987571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).