piperazine-1-sulfonyl chloride

C4H9ClN2O2S — CID 54563350

IUPACpiperazine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCNCC1
InChIInChI=1S/C4H9ClN2O2S/c5-10(8,9)7-3-1-6-2-4-7/h6H,1-4H2
InChIKeyZSCMPIIWWBUIPS-UHFFFAOYSA-N
MW184.65 g/mol
LogP-0.62
Rot. Bonds1

About piperazine-1-sulfonyl chloride

piperazine-1-sulfonyl chloride (PubChem CID 54563350) has the molecular formula C4H9ClN2O2S and a molecular weight of 184.65 g/mol. Its IUPAC name is piperazine-1-sulfonyl chloride.

Molecular Properties

Compound Namepiperazine-1-sulfonyl chloride
PubChem CID54563350
Molecular FormulaC4H9ClN2O2S
Molecular Weight184.65 g/mol
Exact Mass184.01
IUPAC Namepiperazine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCNCC1
InChIInChI=1S/C4H9ClN2O2S/c5-10(8,9)7-3-1-6-2-4-7/h6H,1-4H2
InChIKeyZSCMPIIWWBUIPS-UHFFFAOYSA-N
XLogP-0.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.65
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperazine-1-sulfonyl chloride?
The IUPAC name of piperazine-1-sulfonyl chloride (CID 54563350) is piperazine-1-sulfonyl chloride.
What is the SMILES notation for piperazine-1-sulfonyl chloride?
The canonical SMILES for piperazine-1-sulfonyl chloride is O=S(=O)(Cl)N1CCNCC1.
What is the InChIKey of piperazine-1-sulfonyl chloride?
The InChIKey is ZSCMPIIWWBUIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClN2O2S/c5-10(8,9)7-3-1-6-2-4-7/h6H,1-4H2.
What are the key properties of piperazine-1-sulfonyl chloride?
piperazine-1-sulfonyl chloride has a molecular weight of 184.65 g/mol, XLogP of -0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-1-sulfonyl chloride is sourced from PubChem (CID 54563350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).