[2-[(4-methylphenyl)sulfonylamino]phenyl]oxidanium

C13H14NO3S+ — CID 134969474

IUPAC[2-[(4-methylphenyl)sulfonylamino]phenyl]oxidanium
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2[OH2+])cc1
InChIInChI=1S/C13H13NO3S/c1-10-6-8-11(9-7-10)18(16,17)14-12-4-2-3-5-13(12)15/h2-9,14-15H,1H3/p+1
InChIKeyJDCWGLBOQFHJQM-UHFFFAOYSA-O
MW264.33 g/mol
LogP2.23
Rot. Bonds3

About [2-[(4-methylphenyl)sulfonylamino]phenyl]oxidanium

[2-[(4-methylphenyl)sulfonylamino]phenyl]oxidanium (PubChem CID 134969474) has the molecular formula C13H14NO3S+ and a molecular weight of 264.33 g/mol. Its IUPAC name is [2-[(4-methylphenyl)sulfonylamino]phenyl]oxidanium.

Molecular Properties

Compound Name[2-[(4-methylphenyl)sulfonylamino]phenyl]oxidanium
PubChem CID134969474
Molecular FormulaC13H14NO3S+
Molecular Weight264.33 g/mol
Exact Mass264.07
IUPAC Name[2-[(4-methylphenyl)sulfonylamino]phenyl]oxidanium
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2[OH2+])cc1
InChIInChI=1S/C13H13NO3S/c1-10-6-8-11(9-7-10)18(16,17)14-12-4-2-3-5-13(12)15/h2-9,14-15H,1H3/p+1
InChIKeyJDCWGLBOQFHJQM-UHFFFAOYSA-O
XLogP2.23
TPSA69.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylphenyl)sulfonylamino]phenyl]oxidanium?
The IUPAC name of [2-[(4-methylphenyl)sulfonylamino]phenyl]oxidanium (CID 134969474) is [2-[(4-methylphenyl)sulfonylamino]phenyl]oxidanium.
What is the SMILES notation for [2-[(4-methylphenyl)sulfonylamino]phenyl]oxidanium?
The canonical SMILES for [2-[(4-methylphenyl)sulfonylamino]phenyl]oxidanium is Cc1ccc(S(=O)(=O)Nc2ccccc2[OH2+])cc1.
What is the InChIKey of [2-[(4-methylphenyl)sulfonylamino]phenyl]oxidanium?
The InChIKey is JDCWGLBOQFHJQM-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H13NO3S/c1-10-6-8-11(9-7-10)18(16,17)14-12-4-2-3-5-13(12)15/h2-9,14-15H,1H3/p+1.
What are the key properties of [2-[(4-methylphenyl)sulfonylamino]phenyl]oxidanium?
[2-[(4-methylphenyl)sulfonylamino]phenyl]oxidanium has a molecular weight of 264.33 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylphenyl)sulfonylamino]phenyl]oxidanium is sourced from PubChem (CID 134969474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).