1-(4-chlorophenyl)sulfonylpiperazine

C10H13ClN2O2S — CID 801806

IUPAC1-(4-chlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C10H13ClN2O2S/c11-9-1-3-10(4-2-9)16(14,15)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKeyCKVKEBVACPUEIB-UHFFFAOYSA-N
MW260.75 g/mol
LogP0.93
Rot. Bonds2

About 1-(4-chlorophenyl)sulfonylpiperazine

1-(4-chlorophenyl)sulfonylpiperazine (PubChem CID 801806) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonylpiperazine
PubChem CID801806
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name1-(4-chlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C10H13ClN2O2S/c11-9-1-3-10(4-2-9)16(14,15)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKeyCKVKEBVACPUEIB-UHFFFAOYSA-N
XLogP0.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-chlorophenyl)sulfonylpiperazine (CID 801806) is 1-(4-chlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(Cl)cc1)N1CCNCC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonylpiperazine?
The InChIKey is CKVKEBVACPUEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c11-9-1-3-10(4-2-9)16(14,15)13-7-5-12-6-8-13/h1-4,12H,5-8H2.
What are the key properties of 1-(4-chlorophenyl)sulfonylpiperazine?
1-(4-chlorophenyl)sulfonylpiperazine has a molecular weight of 260.75 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 801806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).