5-deuterio-2-(4-deuteriophenyl)sulfonylpyridine

C11H9NO2S — CID 156623926

IUPAC5-deuterio-2-(4-deuteriophenyl)sulfonylpyridine
SMILES[2H]c1ccc(S(=O)(=O)c2ccc([2H])cn2)cc1
InChIInChI=1S/C11H9NO2S/c13-15(14,10-6-2-1-3-7-10)11-8-4-5-9-12-11/h1-9H/i1D,5D
InChIKeyMPTVNPMFAZVTJG-WQPYEJCJSA-N
MW221.28 g/mol
LogP1.91
Rot. Bonds2

About 5-deuterio-2-(4-deuteriophenyl)sulfonylpyridine

5-deuterio-2-(4-deuteriophenyl)sulfonylpyridine (PubChem CID 156623926) has the molecular formula C11H9NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 5-deuterio-2-(4-deuteriophenyl)sulfonylpyridine.

Molecular Properties

Compound Name5-deuterio-2-(4-deuteriophenyl)sulfonylpyridine
PubChem CID156623926
Molecular FormulaC11H9NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name5-deuterio-2-(4-deuteriophenyl)sulfonylpyridine
SMILES[2H]c1ccc(S(=O)(=O)c2ccc([2H])cn2)cc1
InChIInChI=1S/C11H9NO2S/c13-15(14,10-6-2-1-3-7-10)11-8-4-5-9-12-11/h1-9H/i1D,5D
InChIKeyMPTVNPMFAZVTJG-WQPYEJCJSA-N
XLogP1.91
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-deuterio-2-(4-deuteriophenyl)sulfonylpyridine?
The IUPAC name of 5-deuterio-2-(4-deuteriophenyl)sulfonylpyridine (CID 156623926) is 5-deuterio-2-(4-deuteriophenyl)sulfonylpyridine.
What is the SMILES notation for 5-deuterio-2-(4-deuteriophenyl)sulfonylpyridine?
The canonical SMILES for 5-deuterio-2-(4-deuteriophenyl)sulfonylpyridine is [2H]c1ccc(S(=O)(=O)c2ccc([2H])cn2)cc1.
What is the InChIKey of 5-deuterio-2-(4-deuteriophenyl)sulfonylpyridine?
The InChIKey is MPTVNPMFAZVTJG-WQPYEJCJSA-N. The full InChI is InChI=1S/C11H9NO2S/c13-15(14,10-6-2-1-3-7-10)11-8-4-5-9-12-11/h1-9H/i1D,5D.
What are the key properties of 5-deuterio-2-(4-deuteriophenyl)sulfonylpyridine?
5-deuterio-2-(4-deuteriophenyl)sulfonylpyridine has a molecular weight of 221.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuterio-2-(4-deuteriophenyl)sulfonylpyridine is sourced from PubChem (CID 156623926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).