[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]-(4-methylphenyl)sulfonylazanide

C15H16N2O4S — CID 134972071

IUPAC[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]-(4-methylphenyl)sulfonylazanide
SMILESCc1ccc(S(=O)(=O)[N-][n+]2ccccc2C2OCCO2)cc1
InChIInChI=1S/C15H16N2O4S/c1-12-5-7-13(8-6-12)22(18,19)16-17-9-3-2-4-14(17)15-20-10-11-21-15/h2-9,15H,10-11H2,1H3
InChIKeyHBHYOWTXFDTBED-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.85
Rot. Bonds4

About [2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]-(4-methylphenyl)sulfonylazanide

[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]-(4-methylphenyl)sulfonylazanide (PubChem CID 134972071) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is [2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]-(4-methylphenyl)sulfonylazanide.

Molecular Properties

Compound Name[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]-(4-methylphenyl)sulfonylazanide
PubChem CID134972071
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]-(4-methylphenyl)sulfonylazanide
SMILESCc1ccc(S(=O)(=O)[N-][n+]2ccccc2C2OCCO2)cc1
InChIInChI=1S/C15H16N2O4S/c1-12-5-7-13(8-6-12)22(18,19)16-17-9-3-2-4-14(17)15-20-10-11-21-15/h2-9,15H,10-11H2,1H3
InChIKeyHBHYOWTXFDTBED-UHFFFAOYSA-N
XLogP1.85
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]-(4-methylphenyl)sulfonylazanide?
The IUPAC name of [2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]-(4-methylphenyl)sulfonylazanide (CID 134972071) is [2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]-(4-methylphenyl)sulfonylazanide.
What is the SMILES notation for [2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]-(4-methylphenyl)sulfonylazanide?
The canonical SMILES for [2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]-(4-methylphenyl)sulfonylazanide is Cc1ccc(S(=O)(=O)[N-][n+]2ccccc2C2OCCO2)cc1.
What is the InChIKey of [2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]-(4-methylphenyl)sulfonylazanide?
The InChIKey is HBHYOWTXFDTBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-12-5-7-13(8-6-12)22(18,19)16-17-9-3-2-4-14(17)15-20-10-11-21-15/h2-9,15H,10-11H2,1H3.
What are the key properties of [2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]-(4-methylphenyl)sulfonylazanide?
[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]-(4-methylphenyl)sulfonylazanide has a molecular weight of 320.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]-(4-methylphenyl)sulfonylazanide is sourced from PubChem (CID 134972071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).