2-[4-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidine

C15H16N8O2S — CID 1448946

IUPAC2-[4-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidine
SMILESO=S(=O)(c1ccc(-n2cnnn2)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H16N8O2S/c24-26(25,14-4-2-13(3-5-14)23-12-18-19-20-23)22-10-8-21(9-11-22)15-16-6-1-7-17-15/h1-7,12H,8-11H2
InChIKeyGREBJAWIVFTPRG-UHFFFAOYSA-N
MW372.41 g/mol
LogP-0.04
Rot. Bonds4

About 2-[4-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidine

2-[4-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidine (PubChem CID 1448946) has the molecular formula C15H16N8O2S and a molecular weight of 372.41 g/mol. Its IUPAC name is 2-[4-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidine
PubChem CID1448946
Molecular FormulaC15H16N8O2S
Molecular Weight372.41 g/mol
Exact Mass372.11
IUPAC Name2-[4-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidine
SMILESO=S(=O)(c1ccc(-n2cnnn2)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H16N8O2S/c24-26(25,14-4-2-13(3-5-14)23-12-18-19-20-23)22-10-8-21(9-11-22)15-16-6-1-7-17-15/h1-7,12H,8-11H2
InChIKeyGREBJAWIVFTPRG-UHFFFAOYSA-N
XLogP-0.04
TPSA110.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 23605772
4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylaniline
CID 22688881
4-(azepan-1-ylsulfonyl)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 1448327
2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenoxy]acetamide
CID 100814431
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 28934975
[4-(4-fluorophenyl)piperazin-1-yl]-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone
CID 3214687
N-cyclopropyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 1455565
N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 155169604
(4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 26519874
3-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 4285765
1-(4-ethenylsulfonylphenyl)tetrazole
CID 102223380
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 42535906

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidine (CID 1448946) is 2-[4-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidine is O=S(=O)(c1ccc(-n2cnnn2)cc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidine?
The InChIKey is GREBJAWIVFTPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8O2S/c24-26(25,14-4-2-13(3-5-14)23-12-18-19-20-23)22-10-8-21(9-11-22)15-16-6-1-7-17-15/h1-7,12H,8-11H2.
What are the key properties of 2-[4-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidine?
2-[4-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidine has a molecular weight of 372.41 g/mol, XLogP of -0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 1448946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).