phenyl(trifluoromethylsulfonyl)azanium

C7H7F3NO2S+ — CID 154164911

IUPACphenyl(trifluoromethylsulfonyl)azanium
SMILESO=S(=O)([NH2+]c1ccccc1)C(F)(F)F
InChIInChI=1S/C7H6F3NO2S/c8-7(9,10)14(12,13)11-6-4-2-1-3-5-6/h1-5,11H/p+1
InChIKeyOXDSKEQSEGDAFN-UHFFFAOYSA-O
MW226.20 g/mol
LogP0.73
Rot. Bonds2

About phenyl(trifluoromethylsulfonyl)azanium

phenyl(trifluoromethylsulfonyl)azanium (PubChem CID 154164911) has the molecular formula C7H7F3NO2S+ and a molecular weight of 226.20 g/mol. Its IUPAC name is phenyl(trifluoromethylsulfonyl)azanium.

Molecular Properties

Compound Namephenyl(trifluoromethylsulfonyl)azanium
PubChem CID154164911
Molecular FormulaC7H7F3NO2S+
Molecular Weight226.20 g/mol
Exact Mass226.01
IUPAC Namephenyl(trifluoromethylsulfonyl)azanium
SMILESO=S(=O)([NH2+]c1ccccc1)C(F)(F)F
InChIInChI=1S/C7H6F3NO2S/c8-7(9,10)14(12,13)11-6-4-2-1-3-5-6/h1-5,11H/p+1
InChIKeyOXDSKEQSEGDAFN-UHFFFAOYSA-O
XLogP0.73
TPSA50.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl(trifluoromethylsulfonyl)azanium?
The IUPAC name of phenyl(trifluoromethylsulfonyl)azanium (CID 154164911) is phenyl(trifluoromethylsulfonyl)azanium.
What is the SMILES notation for phenyl(trifluoromethylsulfonyl)azanium?
The canonical SMILES for phenyl(trifluoromethylsulfonyl)azanium is O=S(=O)([NH2+]c1ccccc1)C(F)(F)F.
What is the InChIKey of phenyl(trifluoromethylsulfonyl)azanium?
The InChIKey is OXDSKEQSEGDAFN-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H6F3NO2S/c8-7(9,10)14(12,13)11-6-4-2-1-3-5-6/h1-5,11H/p+1.
What are the key properties of phenyl(trifluoromethylsulfonyl)azanium?
phenyl(trifluoromethylsulfonyl)azanium has a molecular weight of 226.20 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(trifluoromethylsulfonyl)azanium is sourced from PubChem (CID 154164911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).