sodium;hydride;phenyl 4-ethenylbenzenesulfonate

C14H13NaO3S — CID 174943153

IUPACsodium;hydride;phenyl 4-ethenylbenzenesulfonate
SMILESC=Cc1ccc(S(=O)(=O)Oc2ccccc2)cc1.[H-].[Na+]
InChIInChI=1S/C14H12O3S.Na.H/c1-2-12-8-10-14(11-9-12)18(15,16)17-13-6-4-3-5-7-13;;/h2-11H,1H2;;/q;+1;-1
InChIKeyICRDHFCGLKXDFJ-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.21
Rot. Bonds4

About sodium;hydride;phenyl 4-ethenylbenzenesulfonate

sodium;hydride;phenyl 4-ethenylbenzenesulfonate (PubChem CID 174943153) has the molecular formula C14H13NaO3S and a molecular weight of 284.31 g/mol. Its IUPAC name is sodium;hydride;phenyl 4-ethenylbenzenesulfonate.

Molecular Properties

Compound Namesodium;hydride;phenyl 4-ethenylbenzenesulfonate
PubChem CID174943153
Molecular FormulaC14H13NaO3S
Molecular Weight284.31 g/mol
Exact Mass284.05
IUPAC Namesodium;hydride;phenyl 4-ethenylbenzenesulfonate
SMILESC=Cc1ccc(S(=O)(=O)Oc2ccccc2)cc1.[H-].[Na+]
InChIInChI=1S/C14H12O3S.Na.H/c1-2-12-8-10-14(11-9-12)18(15,16)17-13-6-4-3-5-7-13;;/h2-11H,1H2;;/q;+1;-1
InChIKeyICRDHFCGLKXDFJ-UHFFFAOYSA-N
XLogP0.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

[4-(3-methylpentan-2-yl)phenyl] 4-ethenylbenzenesulfonate
CID 147745645
sodium;hydride;phenyl ethenesulfonate
CID 174175165
4-(4-ethenylphenyl)sulfonyloxynaphthalene-1-sulfonic acid
CID 176866025
ethenylsulfonyl 4-ethenylbenzenesulfonate
CID 57074743
sodium;4-(benzenesulfonyloxy)benzoic acid;hydride
CID 174651496
sodium;1,4-bis(ethenyl)benzene;hydride;2-phenylethenesulfonic acid
CID 174291197
(2,4,6-trichlorophenyl) 4-ethenylbenzenesulfonate
CID 22886382
sodium;hydride;phenyl 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate
CID 174736147
potassium benzenesulfonyl-(4-ethenylphenyl)sulfonylazanide
CID 101224201
[4-(2,2-dicyanoethenyl)phenyl] benzenesulfonate
CID 22899744
1-benzylsulfonyl-4-ethenylbenzene
CID 23089554
sodium phenyl sulfate
CID 23678346

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;phenyl 4-ethenylbenzenesulfonate?
The IUPAC name of sodium;hydride;phenyl 4-ethenylbenzenesulfonate (CID 174943153) is sodium;hydride;phenyl 4-ethenylbenzenesulfonate.
What is the SMILES notation for sodium;hydride;phenyl 4-ethenylbenzenesulfonate?
The canonical SMILES for sodium;hydride;phenyl 4-ethenylbenzenesulfonate is C=Cc1ccc(S(=O)(=O)Oc2ccccc2)cc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;phenyl 4-ethenylbenzenesulfonate?
The InChIKey is ICRDHFCGLKXDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3S.Na.H/c1-2-12-8-10-14(11-9-12)18(15,16)17-13-6-4-3-5-7-13;;/h2-11H,1H2;;/q;+1;-1.
What are the key properties of sodium;hydride;phenyl 4-ethenylbenzenesulfonate?
sodium;hydride;phenyl 4-ethenylbenzenesulfonate has a molecular weight of 284.31 g/mol, XLogP of 0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;phenyl 4-ethenylbenzenesulfonate is sourced from PubChem (CID 174943153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).