sodium;hydride;phenoxysulfonyl benzoate

C13H11NaO5S — CID 174270094

IUPACsodium;hydride;phenoxysulfonyl benzoate
SMILESO=C(OS(=O)(=O)Oc1ccccc1)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C13H10O5S.Na.H/c14-13(11-7-3-1-4-8-11)18-19(15,16)17-12-9-5-2-6-10-12;;/h1-10H;;/q;+1;-1
InChIKeyAYJIYBIPFHLILK-UHFFFAOYSA-N
MW302.28 g/mol
LogP-0.72
Rot. Bonds4

About sodium;hydride;phenoxysulfonyl benzoate

sodium;hydride;phenoxysulfonyl benzoate (PubChem CID 174270094) has the molecular formula C13H11NaO5S and a molecular weight of 302.28 g/mol. Its IUPAC name is sodium;hydride;phenoxysulfonyl benzoate.

Molecular Properties

Compound Namesodium;hydride;phenoxysulfonyl benzoate
PubChem CID174270094
Molecular FormulaC13H11NaO5S
Molecular Weight302.28 g/mol
Exact Mass302.02
IUPAC Namesodium;hydride;phenoxysulfonyl benzoate
SMILESO=C(OS(=O)(=O)Oc1ccccc1)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C13H10O5S.Na.H/c14-13(11-7-3-1-4-8-11)18-19(15,16)17-12-9-5-2-6-10-12;;/h1-10H;;/q;+1;-1
InChIKeyAYJIYBIPFHLILK-UHFFFAOYSA-N
XLogP-0.72
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

sodium;hydride;phenyl oxo(phenyl)methanesulfonate
CID 174406653
argon;benzoyl benzenecarboperoxoate
CID 161437596
CID 19766641
CID 19766641
benzoyl benzenecarboperoxoate;hydron
CID 20524010
CID 159335487
CID 159335487
1-fluoroethenyl phenyl sulfate
CID 87154768
trifluoromethylsulfonyl benzoate
CID 11064956
alumane;azane;sulfo benzoate
CID 173410767
chlorosulfonyl benzoate;hydrochloride
CID 87590926
phenyl benzoate;sulfuryl dichloride
CID 162241119
benzoyl benzenecarboperoxoate;trioxirane
CID 174834892
difluoromethylsulfonyl benzoate
CID 172735189

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;phenoxysulfonyl benzoate?
The IUPAC name of sodium;hydride;phenoxysulfonyl benzoate (CID 174270094) is sodium;hydride;phenoxysulfonyl benzoate.
What is the SMILES notation for sodium;hydride;phenoxysulfonyl benzoate?
The canonical SMILES for sodium;hydride;phenoxysulfonyl benzoate is O=C(OS(=O)(=O)Oc1ccccc1)c1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;phenoxysulfonyl benzoate?
The InChIKey is AYJIYBIPFHLILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O5S.Na.H/c14-13(11-7-3-1-4-8-11)18-19(15,16)17-12-9-5-2-6-10-12;;/h1-10H;;/q;+1;-1.
What are the key properties of sodium;hydride;phenoxysulfonyl benzoate?
sodium;hydride;phenoxysulfonyl benzoate has a molecular weight of 302.28 g/mol, XLogP of -0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;phenoxysulfonyl benzoate is sourced from PubChem (CID 174270094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).