1-(benzenesulfonyl)piperazine

C10H14N2O2S — CID 808712

IUPAC1-(benzenesulfonyl)piperazine
SMILESO=S(=O)(c1ccccc1)N1CCNCC1
InChIInChI=1S/C10H14N2O2S/c13-15(14,10-4-2-1-3-5-10)12-8-6-11-7-9-12/h1-5,11H,6-9H2
InChIKeyNANQJUFFKXWVJR-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.28
Rot. Bonds2

About 1-(benzenesulfonyl)piperazine

1-(benzenesulfonyl)piperazine (PubChem CID 808712) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-(benzenesulfonyl)piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)piperazine
PubChem CID808712
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name1-(benzenesulfonyl)piperazine
SMILESO=S(=O)(c1ccccc1)N1CCNCC1
InChIInChI=1S/C10H14N2O2S/c13-15(14,10-4-2-1-3-5-10)12-8-6-11-7-9-12/h1-5,11H,6-9H2
InChIKeyNANQJUFFKXWVJR-UHFFFAOYSA-N
XLogP0.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)piperazine?
The IUPAC name of 1-(benzenesulfonyl)piperazine (CID 808712) is 1-(benzenesulfonyl)piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)piperazine?
The canonical SMILES for 1-(benzenesulfonyl)piperazine is O=S(=O)(c1ccccc1)N1CCNCC1.
What is the InChIKey of 1-(benzenesulfonyl)piperazine?
The InChIKey is NANQJUFFKXWVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c13-15(14,10-4-2-1-3-5-10)12-8-6-11-7-9-12/h1-5,11H,6-9H2.
What are the key properties of 1-(benzenesulfonyl)piperazine?
1-(benzenesulfonyl)piperazine has a molecular weight of 226.30 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)piperazine is sourced from PubChem (CID 808712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).