methanidyl-(2-methylphenyl)sulfonylazanium

C8H11NO2S — CID 59280516

IUPACmethanidyl-(2-methylphenyl)sulfonylazanium
SMILES[CH2-][NH2+]S(=O)(=O)c1ccccc1C
InChIInChI=1S/C8H11NO2S/c1-7-5-3-4-6-8(7)12(10,11)9-2/h3-6H,2,9H2,1H3
InChIKeyROHGXKTVVAXNSQ-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.04
Rot. Bonds2

About methanidyl-(2-methylphenyl)sulfonylazanium

methanidyl-(2-methylphenyl)sulfonylazanium (PubChem CID 59280516) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is methanidyl-(2-methylphenyl)sulfonylazanium.

Molecular Properties

Compound Namemethanidyl-(2-methylphenyl)sulfonylazanium
PubChem CID59280516
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Namemethanidyl-(2-methylphenyl)sulfonylazanium
SMILES[CH2-][NH2+]S(=O)(=O)c1ccccc1C
InChIInChI=1S/C8H11NO2S/c1-7-5-3-4-6-8(7)12(10,11)9-2/h3-6H,2,9H2,1H3
InChIKeyROHGXKTVVAXNSQ-UHFFFAOYSA-N
XLogP0.04
TPSA50.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methanidyl-(2-methylphenyl)sulfonylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-methylbenzenesulfonic acid
CID 54049338
2-methylbenzenesulfonamide
CID 6924
2-methylbenzenesulfonic acid
CID 6925
2-methylbenzenesulfonic acid;nickel
CID 174250296
2-methylbenzenesulfonic acid;hydroiodide
CID 173271723
1-methyl-2-propylsulfanylsulfonylbenzene
CID 70392643
ethane;2-methylbenzenesulfonic acid;prop-1-ene
CID 144520468
CID 88736632
CID 88736632
2-methyl-N-[[(2-methylphenyl)sulfonylamino]disulfanyl]benzenesulfonamide
CID 88610008
2-methylbenzenesulfonic acid;sulfur trioxide
CID 158380582
2-methylbenzenesulfonate;tetramethylphosphanium
CID 22725746
trifluoro-(2-methylphenyl)-λ4-sulfane
CID 87179727

Frequently Asked Questions

What is the IUPAC name of methanidyl-(2-methylphenyl)sulfonylazanium?
The IUPAC name of methanidyl-(2-methylphenyl)sulfonylazanium (CID 59280516) is methanidyl-(2-methylphenyl)sulfonylazanium.
What is the SMILES notation for methanidyl-(2-methylphenyl)sulfonylazanium?
The canonical SMILES for methanidyl-(2-methylphenyl)sulfonylazanium is [CH2-][NH2+]S(=O)(=O)c1ccccc1C.
What is the InChIKey of methanidyl-(2-methylphenyl)sulfonylazanium?
The InChIKey is ROHGXKTVVAXNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-7-5-3-4-6-8(7)12(10,11)9-2/h3-6H,2,9H2,1H3.
What are the key properties of methanidyl-(2-methylphenyl)sulfonylazanium?
methanidyl-(2-methylphenyl)sulfonylazanium has a molecular weight of 185.25 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-(2-methylphenyl)sulfonylazanium is sourced from PubChem (CID 59280516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).