(4-methylphenyl)sulfonyloxidanium

C7H9O3S+ — CID 5175018

IUPAC(4-methylphenyl)sulfonyloxidanium
SMILESCc1ccc(S(=O)(=O)[OH2+])cc1
InChIInChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)/p+1
InChIKeyJOXIMZWYDAKGHI-UHFFFAOYSA-O
MW173.21 g/mol
LogP0.41
Rot. Bonds1

About (4-methylphenyl)sulfonyloxidanium

(4-methylphenyl)sulfonyloxidanium (PubChem CID 5175018) has the molecular formula C7H9O3S+ and a molecular weight of 173.21 g/mol. Its IUPAC name is (4-methylphenyl)sulfonyloxidanium.

Molecular Properties

Compound Name(4-methylphenyl)sulfonyloxidanium
PubChem CID5175018
Molecular FormulaC7H9O3S+
Molecular Weight173.21 g/mol
Exact Mass173.03
IUPAC Name(4-methylphenyl)sulfonyloxidanium
SMILESCc1ccc(S(=O)(=O)[OH2+])cc1
InChIInChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)/p+1
InChIKeyJOXIMZWYDAKGHI-UHFFFAOYSA-O
XLogP0.41
TPSA57.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
(4-methylphenyl)sulfonylmethanesulfonyl iodide
CID 91415915
tris(4-methylbenzenesulfonate);praseodymium(3+)
CID 102466575
antimony(3+);tris(4-methylbenzenesulfonate)
CID 86736930
4-methylbenzenesulfonic acid
CID 157221593
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
magnesium bis(4-methylbenzenesulfonate)
CID 12011810
CID 173032545
CID 173032545

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)sulfonyloxidanium?
The IUPAC name of (4-methylphenyl)sulfonyloxidanium (CID 5175018) is (4-methylphenyl)sulfonyloxidanium.
What is the SMILES notation for (4-methylphenyl)sulfonyloxidanium?
The canonical SMILES for (4-methylphenyl)sulfonyloxidanium is Cc1ccc(S(=O)(=O)[OH2+])cc1.
What is the InChIKey of (4-methylphenyl)sulfonyloxidanium?
The InChIKey is JOXIMZWYDAKGHI-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)/p+1.
What are the key properties of (4-methylphenyl)sulfonyloxidanium?
(4-methylphenyl)sulfonyloxidanium has a molecular weight of 173.21 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)sulfonyloxidanium is sourced from PubChem (CID 5175018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).