ethoxy-oxo-(4-sulfamoylphenyl)phosphanium

C8H11NO4PS+ — CID 174852185

IUPACethoxy-oxo-(4-sulfamoylphenyl)phosphanium
SMILESCCO[P+](=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C8H11NO4PS/c1-2-13-14(10)7-3-5-8(6-4-7)15(9,11)12/h3-6H,2H2,1H3,(H2,9,11,12)/q+1
InChIKeyVOUAPSUVIQMUDL-UHFFFAOYSA-N
MW248.22 g/mol
LogP0.74
Rot. Bonds4

About ethoxy-oxo-(4-sulfamoylphenyl)phosphanium

ethoxy-oxo-(4-sulfamoylphenyl)phosphanium (PubChem CID 174852185) has the molecular formula C8H11NO4PS+ and a molecular weight of 248.22 g/mol. Its IUPAC name is ethoxy-oxo-(4-sulfamoylphenyl)phosphanium.

Molecular Properties

Compound Nameethoxy-oxo-(4-sulfamoylphenyl)phosphanium
PubChem CID174852185
Molecular FormulaC8H11NO4PS+
Molecular Weight248.22 g/mol
Exact Mass248.01
IUPAC Nameethoxy-oxo-(4-sulfamoylphenyl)phosphanium
SMILESCCO[P+](=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C8H11NO4PS/c1-2-13-14(10)7-3-5-8(6-4-7)15(9,11)12/h3-6H,2H2,1H3,(H2,9,11,12)/q+1
InChIKeyVOUAPSUVIQMUDL-UHFFFAOYSA-N
XLogP0.74
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethoxy-(4-methylphenyl)-oxophosphanium
CID 13339000
4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591264
bis(4-methylbenzenesulfonamide);selane
CID 173300479
methane;4-methylbenzenesulfonamide
CID 66673954
4-propanoylbenzenesulfonamide
CID 70209431
4-[(2-ethoxy-2-methylpropyl)amino]benzenesulfonamide
CID 114943074
ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 5054603
4-bromo-3-ethoxybenzenesulfonamide
CID 47000870
4-(4-propoxyphenoxy)benzenesulfonamide
CID 43342703
4-[(3R)-3-aminobutyl]benzenesulfonamide
CID 54189732
4-[4-(aminomethyl)phenoxy]benzenesulfonamide
CID 106485731
4-tributylstannylbenzenesulfonamide
CID 18768487

Frequently Asked Questions

What is the IUPAC name of ethoxy-oxo-(4-sulfamoylphenyl)phosphanium?
The IUPAC name of ethoxy-oxo-(4-sulfamoylphenyl)phosphanium (CID 174852185) is ethoxy-oxo-(4-sulfamoylphenyl)phosphanium.
What is the SMILES notation for ethoxy-oxo-(4-sulfamoylphenyl)phosphanium?
The canonical SMILES for ethoxy-oxo-(4-sulfamoylphenyl)phosphanium is CCO[P+](=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of ethoxy-oxo-(4-sulfamoylphenyl)phosphanium?
The InChIKey is VOUAPSUVIQMUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4PS/c1-2-13-14(10)7-3-5-8(6-4-7)15(9,11)12/h3-6H,2H2,1H3,(H2,9,11,12)/q+1.
What are the key properties of ethoxy-oxo-(4-sulfamoylphenyl)phosphanium?
ethoxy-oxo-(4-sulfamoylphenyl)phosphanium has a molecular weight of 248.22 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-oxo-(4-sulfamoylphenyl)phosphanium is sourced from PubChem (CID 174852185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).