benzenesulfonylimino(diethyl)phosphanium

C10H15NO2PS+ — CID 118474033

IUPACbenzenesulfonylimino(diethyl)phosphanium
SMILESCC[P+](CC)=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H15NO2PS/c1-3-14(4-2)11-15(12,13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3/q+1
InChIKeySTKURFYDEURWHP-UHFFFAOYSA-N
MW244.28 g/mol
LogP3.08
Rot. Bonds4

About benzenesulfonylimino(diethyl)phosphanium

benzenesulfonylimino(diethyl)phosphanium (PubChem CID 118474033) has the molecular formula C10H15NO2PS+ and a molecular weight of 244.28 g/mol. Its IUPAC name is benzenesulfonylimino(diethyl)phosphanium.

Molecular Properties

Compound Namebenzenesulfonylimino(diethyl)phosphanium
PubChem CID118474033
Molecular FormulaC10H15NO2PS+
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC Namebenzenesulfonylimino(diethyl)phosphanium
SMILESCC[P+](CC)=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H15NO2PS/c1-3-14(4-2)11-15(12,13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3/q+1
InChIKeySTKURFYDEURWHP-UHFFFAOYSA-N
XLogP3.08
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-bromophenyl)sulfonylimino-dibutylphosphanium
CID 118474018
ethyl N-(benzenesulfonyl)methanimidothioate
CID 68716188
(NZ)-N-[(4-ethoxyphenyl)methylidene]benzenesulfonamide
CID 110518664
benzenesulfonate;ethyl(trimethyl)azanium
CID 21449652
ethylsulfonylbenzene;phenol
CID 174951751
sodium;benzenesulfonate;hydrate
CID 23670746
benzene;benzenesulfonate;ethane
CID 157453988
benzenesulfonate;ethane
CID 91434520
calcium;benzenesulfonate;hydrate
CID 21150224
benzenesulfonic acid;mercury(1+);hydrate
CID 21150893
benzenesulfonate;nickel(2+);hexahydrate
CID 56924537
N'-(benzenesulfonyl)ethanimidamide
CID 3716690

Frequently Asked Questions

What is the IUPAC name of benzenesulfonylimino(diethyl)phosphanium?
The IUPAC name of benzenesulfonylimino(diethyl)phosphanium (CID 118474033) is benzenesulfonylimino(diethyl)phosphanium.
What is the SMILES notation for benzenesulfonylimino(diethyl)phosphanium?
The canonical SMILES for benzenesulfonylimino(diethyl)phosphanium is CC[P+](CC)=NS(=O)(=O)c1ccccc1.
What is the InChIKey of benzenesulfonylimino(diethyl)phosphanium?
The InChIKey is STKURFYDEURWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2PS/c1-3-14(4-2)11-15(12,13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3/q+1.
What are the key properties of benzenesulfonylimino(diethyl)phosphanium?
benzenesulfonylimino(diethyl)phosphanium has a molecular weight of 244.28 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonylimino(diethyl)phosphanium is sourced from PubChem (CID 118474033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).