benzenesulfonyloxy-hydroxy-oxophosphanium;ethanamine

C8H13NO5PS+ — CID 175100508

IUPACbenzenesulfonyloxy-hydroxy-oxophosphanium;ethanamine
SMILESCCN.O=[P+](O)OS(=O)(=O)c1ccccc1
InChIInChI=1S/C6H5O5PS.C2H7N/c7-12(8)11-13(9,10)6-4-2-1-3-5-6;1-2-3/h1-5H;2-3H2,1H3/p+1
InChIKeyZQAIIAYWIYVADT-UHFFFAOYSA-O
MW266.24 g/mol
LogP1.01
Rot. Bonds3

About benzenesulfonyloxy-hydroxy-oxophosphanium;ethanamine

benzenesulfonyloxy-hydroxy-oxophosphanium;ethanamine (PubChem CID 175100508) has the molecular formula C8H13NO5PS+ and a molecular weight of 266.24 g/mol. Its IUPAC name is benzenesulfonyloxy-hydroxy-oxophosphanium;ethanamine.

Molecular Properties

Compound Namebenzenesulfonyloxy-hydroxy-oxophosphanium;ethanamine
PubChem CID175100508
Molecular FormulaC8H13NO5PS+
Molecular Weight266.24 g/mol
Exact Mass266.02
IUPAC Namebenzenesulfonyloxy-hydroxy-oxophosphanium;ethanamine
SMILESCCN.O=[P+](O)OS(=O)(=O)c1ccccc1
InChIInChI=1S/C6H5O5PS.C2H7N/c7-12(8)11-13(9,10)6-4-2-1-3-5-6;1-2-3/h1-5H;2-3H2,1H3/p+1
InChIKeyZQAIIAYWIYVADT-UHFFFAOYSA-O
XLogP1.01
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(benzenesulfonyloxy)-oxophosphanium
CID 87283372
propylsulfonyl benzenesulfonate
CID 174788373
4-(benzenesulfonyloxy)hexan-3-yl benzenesulfonate
CID 89440686
[diethyl(phenyl)-λ4-sulfanyl] trifluoromethanesulfonate
CID 87831914
Hydroxymethyl benzenesulfonate--aluminium (1/1)
CID 57354388
benzenesulfonyl propaneperoxoate
CID 174565875
1,1-bis(benzenesulfonyloxy)propyl benzenesulfonate
CID 170551829
CID 157384687
CID 157384687
amino benzenesulfonate;zinc
CID 175523856
CID 87966251
CID 87966251
but-1-enyl benzenesulfonate
CID 142644575
[(E)-2-ethoxyethenyl]sulfonylbenzene
CID 13177777

Frequently Asked Questions

What is the IUPAC name of benzenesulfonyloxy-hydroxy-oxophosphanium;ethanamine?
The IUPAC name of benzenesulfonyloxy-hydroxy-oxophosphanium;ethanamine (CID 175100508) is benzenesulfonyloxy-hydroxy-oxophosphanium;ethanamine.
What is the SMILES notation for benzenesulfonyloxy-hydroxy-oxophosphanium;ethanamine?
The canonical SMILES for benzenesulfonyloxy-hydroxy-oxophosphanium;ethanamine is CCN.O=[P+](O)OS(=O)(=O)c1ccccc1.
What is the InChIKey of benzenesulfonyloxy-hydroxy-oxophosphanium;ethanamine?
The InChIKey is ZQAIIAYWIYVADT-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H5O5PS.C2H7N/c7-12(8)11-13(9,10)6-4-2-1-3-5-6;1-2-3/h1-5H;2-3H2,1H3/p+1.
What are the key properties of benzenesulfonyloxy-hydroxy-oxophosphanium;ethanamine?
benzenesulfonyloxy-hydroxy-oxophosphanium;ethanamine has a molecular weight of 266.24 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonyloxy-hydroxy-oxophosphanium;ethanamine is sourced from PubChem (CID 175100508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).