methanesulfonate;(2-phenylphenyl)azanium

C13H15NO3S — CID 138453494

IUPACmethanesulfonate;(2-phenylphenyl)azanium
SMILESCS(=O)(=O)[O-].[NH3+]c1ccccc1-c1ccccc1
InChIInChI=1S/C12H11N.CH4O3S/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4/h1-9H,13H2;1H3,(H,2,3,4)
InChIKeyNONLYMJHKGQHLQ-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.39
Rot. Bonds1

About methanesulfonate;(2-phenylphenyl)azanium

methanesulfonate;(2-phenylphenyl)azanium (PubChem CID 138453494) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is methanesulfonate;(2-phenylphenyl)azanium.

Molecular Properties

Compound Namemethanesulfonate;(2-phenylphenyl)azanium
PubChem CID138453494
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Namemethanesulfonate;(2-phenylphenyl)azanium
SMILESCS(=O)(=O)[O-].[NH3+]c1ccccc1-c1ccccc1
InChIInChI=1S/C12H11N.CH4O3S/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4/h1-9H,13H2;1H3,(H,2,3,4)
InChIKeyNONLYMJHKGQHLQ-UHFFFAOYSA-N
XLogP1.39
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

[2-(2-phenylphenyl)phenyl]azanium
CID 146956787
chromium(6+);hexakis(octalene-1-sulfonate)
CID 157485438
imino-methyl-oxo-(2-phenylphenyl)-λ6-sulfane
CID 162404688
N,N-dimethyl-2-phenylbenzenesulfonamide
CID 19014102
methanesulfonate;4-phenylpyridin-1-ium-1-amine
CID 56927584
benzene;ethane;methanesulfonate
CID 90804134
iron;methanesulfonic acid;methyl-(2-phenylphenyl)azanide;palladium
CID 175921452
ethane;methanesulfonate;naphthalene
CID 91264574
gold(1+);methanesulfonate;triphenylphosphane
CID 172719682
dimethyl(phenyl)sulfanium;methanesulfonate
CID 158678678
disodium;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;methanesulfonate;hydrate
CID 154701020
5-methylsulfonyl-2-phenylphenol
CID 170991477

Frequently Asked Questions

What is the IUPAC name of methanesulfonate;(2-phenylphenyl)azanium?
The IUPAC name of methanesulfonate;(2-phenylphenyl)azanium (CID 138453494) is methanesulfonate;(2-phenylphenyl)azanium.
What is the SMILES notation for methanesulfonate;(2-phenylphenyl)azanium?
The canonical SMILES for methanesulfonate;(2-phenylphenyl)azanium is CS(=O)(=O)[O-].[NH3+]c1ccccc1-c1ccccc1.
What is the InChIKey of methanesulfonate;(2-phenylphenyl)azanium?
The InChIKey is NONLYMJHKGQHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.CH4O3S/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4/h1-9H,13H2;1H3,(H,2,3,4).
What are the key properties of methanesulfonate;(2-phenylphenyl)azanium?
methanesulfonate;(2-phenylphenyl)azanium has a molecular weight of 265.33 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonate;(2-phenylphenyl)azanium is sourced from PubChem (CID 138453494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).