2-phenyl-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]sulfonylpyridine

C17H18N6O2S — CID 58211491

IUPAC2-phenyl-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]sulfonylpyridine
SMILESO=S(=O)(c1cccc(-c2ccccc2)n1)N1CCCC(c2nn[nH]n2)C1
InChIInChI=1S/C17H18N6O2S/c24-26(25,23-11-5-8-14(12-23)17-19-21-22-20-17)16-10-4-9-15(18-16)13-6-2-1-3-7-13/h1-4,6-7,9-10,14H,5,8,11-12H2,(H,19,20,21,22)
InChIKeyCMHURGYOAONMHO-UHFFFAOYSA-N
MW370.44 g/mol
LogP1.83
Rot. Bonds4

About 2-phenyl-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]sulfonylpyridine

2-phenyl-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]sulfonylpyridine (PubChem CID 58211491) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is 2-phenyl-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]sulfonylpyridine.

Molecular Properties

Compound Name2-phenyl-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]sulfonylpyridine
PubChem CID58211491
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC Name2-phenyl-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]sulfonylpyridine
SMILESO=S(=O)(c1cccc(-c2ccccc2)n1)N1CCCC(c2nn[nH]n2)C1
InChIInChI=1S/C17H18N6O2S/c24-26(25,23-11-5-8-14(12-23)17-19-21-22-20-17)16-10-4-9-15(18-16)13-6-2-1-3-7-13/h1-4,6-7,9-10,14H,5,8,11-12H2,(H,19,20,21,22)
InChIKeyCMHURGYOAONMHO-UHFFFAOYSA-N
XLogP1.83
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]sulfonylpyridine?
The IUPAC name of 2-phenyl-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]sulfonylpyridine (CID 58211491) is 2-phenyl-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]sulfonylpyridine.
What is the SMILES notation for 2-phenyl-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]sulfonylpyridine?
The canonical SMILES for 2-phenyl-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]sulfonylpyridine is O=S(=O)(c1cccc(-c2ccccc2)n1)N1CCCC(c2nn[nH]n2)C1.
What is the InChIKey of 2-phenyl-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]sulfonylpyridine?
The InChIKey is CMHURGYOAONMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S/c24-26(25,23-11-5-8-14(12-23)17-19-21-22-20-17)16-10-4-9-15(18-16)13-6-2-1-3-7-13/h1-4,6-7,9-10,14H,5,8,11-12H2,(H,19,20,21,22).
What are the key properties of 2-phenyl-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]sulfonylpyridine?
2-phenyl-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]sulfonylpyridine has a molecular weight of 370.44 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]sulfonylpyridine is sourced from PubChem (CID 58211491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).