1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazine

C11H14N6O2S — CID 4278096

IUPAC1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1ccc(-n2cnnn2)cc1)N1CCNCC1
InChIInChI=1S/C11H14N6O2S/c18-20(19,16-7-5-12-6-8-16)11-3-1-10(2-4-11)17-9-13-14-15-17/h1-4,9,12H,5-8H2
InChIKeyCPAZBOYBBSMNHV-UHFFFAOYSA-N
MW294.34 g/mol
LogP-0.74
Rot. Bonds3

About 1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazine

1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazine (PubChem CID 4278096) has the molecular formula C11H14N6O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is 1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
PubChem CID4278096
Molecular FormulaC11H14N6O2S
Molecular Weight294.34 g/mol
Exact Mass294.09
IUPAC Name1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1ccc(-n2cnnn2)cc1)N1CCNCC1
InChIInChI=1S/C11H14N6O2S/c18-20(19,16-7-5-12-6-8-16)11-3-1-10(2-4-11)17-9-13-14-15-17/h1-4,9,12H,5-8H2
InChIKeyCPAZBOYBBSMNHV-UHFFFAOYSA-N
XLogP-0.74
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazine (CID 4278096) is 1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazine is O=S(=O)(c1ccc(-n2cnnn2)cc1)N1CCNCC1.
What is the InChIKey of 1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazine?
The InChIKey is CPAZBOYBBSMNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2S/c18-20(19,16-7-5-12-6-8-16)11-3-1-10(2-4-11)17-9-13-14-15-17/h1-4,9,12H,5-8H2.
What are the key properties of 1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazine?
1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazine has a molecular weight of 294.34 g/mol, XLogP of -0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 4278096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).