[3-(oxan-4-yl)phenyl]sulfonylazanium

C11H16NO3S+ — CID 170757410

IUPAC[3-(oxan-4-yl)phenyl]sulfonylazanium
SMILES[NH3+]S(=O)(=O)c1cccc(C2CCOCC2)c1
InChIInChI=1S/C11H15NO3S/c12-16(13,14)11-3-1-2-10(8-11)9-4-6-15-7-5-9/h1-3,8-9H,4-7H2,(H2,12,13,14)/p+1
InChIKeyNVTOHWNBTBVXFK-UHFFFAOYSA-O
MW242.32 g/mol
LogP0.51
Rot. Bonds2

About [3-(oxan-4-yl)phenyl]sulfonylazanium

[3-(oxan-4-yl)phenyl]sulfonylazanium (PubChem CID 170757410) has the molecular formula C11H16NO3S+ and a molecular weight of 242.32 g/mol. Its IUPAC name is [3-(oxan-4-yl)phenyl]sulfonylazanium.

Molecular Properties

Compound Name[3-(oxan-4-yl)phenyl]sulfonylazanium
PubChem CID170757410
Molecular FormulaC11H16NO3S+
Molecular Weight242.32 g/mol
Exact Mass242.08
IUPAC Name[3-(oxan-4-yl)phenyl]sulfonylazanium
SMILES[NH3+]S(=O)(=O)c1cccc(C2CCOCC2)c1
InChIInChI=1S/C11H15NO3S/c12-16(13,14)11-3-1-2-10(8-11)9-4-6-15-7-5-9/h1-3,8-9H,4-7H2,(H2,12,13,14)/p+1
InChIKeyNVTOHWNBTBVXFK-UHFFFAOYSA-O
XLogP0.51
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(oxan-4-yl)phenyl]sulfonylazanium?
The IUPAC name of [3-(oxan-4-yl)phenyl]sulfonylazanium (CID 170757410) is [3-(oxan-4-yl)phenyl]sulfonylazanium.
What is the SMILES notation for [3-(oxan-4-yl)phenyl]sulfonylazanium?
The canonical SMILES for [3-(oxan-4-yl)phenyl]sulfonylazanium is [NH3+]S(=O)(=O)c1cccc(C2CCOCC2)c1.
What is the InChIKey of [3-(oxan-4-yl)phenyl]sulfonylazanium?
The InChIKey is NVTOHWNBTBVXFK-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H15NO3S/c12-16(13,14)11-3-1-2-10(8-11)9-4-6-15-7-5-9/h1-3,8-9H,4-7H2,(H2,12,13,14)/p+1.
What are the key properties of [3-(oxan-4-yl)phenyl]sulfonylazanium?
[3-(oxan-4-yl)phenyl]sulfonylazanium has a molecular weight of 242.32 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxan-4-yl)phenyl]sulfonylazanium is sourced from PubChem (CID 170757410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).