sodium;diphenylmethylbenzene;sulfurous acid

C19H17NaO3S — CID 174649628

IUPACsodium;diphenylmethylbenzene;sulfurous acid
SMILESO=S(O)O.[Na+].c1ccc([C-](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15.Na.H2O3S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;1-4(2)3/h1-15H;;(H2,1,2,3)/q-1;+1;
InChIKeyZBTOAUXIAVSMNG-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.39
Rot. Bonds3

About sodium;diphenylmethylbenzene;sulfurous acid

sodium;diphenylmethylbenzene;sulfurous acid (PubChem CID 174649628) has the molecular formula C19H17NaO3S and a molecular weight of 348.40 g/mol. Its IUPAC name is sodium;diphenylmethylbenzene;sulfurous acid.

Molecular Properties

Compound Namesodium;diphenylmethylbenzene;sulfurous acid
PubChem CID174649628
Molecular FormulaC19H17NaO3S
Molecular Weight348.40 g/mol
Exact Mass348.08
IUPAC Namesodium;diphenylmethylbenzene;sulfurous acid
SMILESO=S(O)O.[Na+].c1ccc([C-](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15.Na.H2O3S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;1-4(2)3/h1-15H;;(H2,1,2,3)/q-1;+1;
InChIKeyZBTOAUXIAVSMNG-UHFFFAOYSA-N
XLogP1.39
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

tetrakis(diphenylmethylbenzene);palladium
CID 57423444
dilithium;diphenylmethylbenzene;hydride
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dichlorotitanium;diphenylmethylbenzene
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calcium;lithium;diphenylmethylbenzene;hydride;molecular hydrogen
CID 174921714
sodium;diphenylmethylbenzene;ethoxyethane
CID 174702547
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CID 67918797
sodium;benzenesulfinic acid;fluoride
CID 174567476
CID 66692277
CID 66692277
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CID 69184571
benzenesulfinic acid;copper
CID 131882722
phenol;sulfonylzinc
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disodium;hydride;sulfurous acid;hydrate
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Frequently Asked Questions

What is the IUPAC name of sodium;diphenylmethylbenzene;sulfurous acid?
The IUPAC name of sodium;diphenylmethylbenzene;sulfurous acid (CID 174649628) is sodium;diphenylmethylbenzene;sulfurous acid.
What is the SMILES notation for sodium;diphenylmethylbenzene;sulfurous acid?
The canonical SMILES for sodium;diphenylmethylbenzene;sulfurous acid is O=S(O)O.[Na+].c1ccc([C-](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of sodium;diphenylmethylbenzene;sulfurous acid?
The InChIKey is ZBTOAUXIAVSMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15.Na.H2O3S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;1-4(2)3/h1-15H;;(H2,1,2,3)/q-1;+1;.
What are the key properties of sodium;diphenylmethylbenzene;sulfurous acid?
sodium;diphenylmethylbenzene;sulfurous acid has a molecular weight of 348.40 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;diphenylmethylbenzene;sulfurous acid is sourced from PubChem (CID 174649628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).