sodium [2,6-di(propan-2-yl)phenoxy]sulfonyl-ethoxycarbonylazanide

C15H22NNaO5S — CID 10712899

IUPACsodium [2,6-di(propan-2-yl)phenoxy]sulfonyl-ethoxycarbonylazanide
SMILESCCOC(=O)[N-]S(=O)(=O)Oc1c(C(C)C)cccc1C(C)C.[Na+]
InChIInChI=1S/C15H23NO5S.Na/c1-6-20-15(17)16-22(18,19)21-14-12(10(2)3)8-7-9-13(14)11(4)5;/h7-11H,6H2,1-5H3,(H,16,17);/q;+1/p-1
InChIKeyRSSBMNWUHILALY-UHFFFAOYSA-M
MW351.40 g/mol
LogP1.09
Rot. Bonds6

About sodium [2,6-di(propan-2-yl)phenoxy]sulfonyl-ethoxycarbonylazanide

sodium [2,6-di(propan-2-yl)phenoxy]sulfonyl-ethoxycarbonylazanide (PubChem CID 10712899) has the molecular formula C15H22NNaO5S and a molecular weight of 351.40 g/mol. Its IUPAC name is sodium [2,6-di(propan-2-yl)phenoxy]sulfonyl-ethoxycarbonylazanide.

Molecular Properties

Compound Namesodium [2,6-di(propan-2-yl)phenoxy]sulfonyl-ethoxycarbonylazanide
PubChem CID10712899
Molecular FormulaC15H22NNaO5S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Namesodium [2,6-di(propan-2-yl)phenoxy]sulfonyl-ethoxycarbonylazanide
SMILESCCOC(=O)[N-]S(=O)(=O)Oc1c(C(C)C)cccc1C(C)C.[Na+]
InChIInChI=1S/C15H23NO5S.Na/c1-6-20-15(17)16-22(18,19)21-14-12(10(2)3)8-7-9-13(14)11(4)5;/h7-11H,6H2,1-5H3,(H,16,17);/q;+1/p-1
InChIKeyRSSBMNWUHILALY-UHFFFAOYSA-M
XLogP1.09
TPSA83.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium [2,6-di(propan-2-yl)phenoxy]sulfonyl-ethoxycarbonylazanide?
The IUPAC name of sodium [2,6-di(propan-2-yl)phenoxy]sulfonyl-ethoxycarbonylazanide (CID 10712899) is sodium [2,6-di(propan-2-yl)phenoxy]sulfonyl-ethoxycarbonylazanide.
What is the SMILES notation for sodium [2,6-di(propan-2-yl)phenoxy]sulfonyl-ethoxycarbonylazanide?
The canonical SMILES for sodium [2,6-di(propan-2-yl)phenoxy]sulfonyl-ethoxycarbonylazanide is CCOC(=O)[N-]S(=O)(=O)Oc1c(C(C)C)cccc1C(C)C.[Na+].
What is the InChIKey of sodium [2,6-di(propan-2-yl)phenoxy]sulfonyl-ethoxycarbonylazanide?
The InChIKey is RSSBMNWUHILALY-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H23NO5S.Na/c1-6-20-15(17)16-22(18,19)21-14-12(10(2)3)8-7-9-13(14)11(4)5;/h7-11H,6H2,1-5H3,(H,16,17);/q;+1/p-1.
What are the key properties of sodium [2,6-di(propan-2-yl)phenoxy]sulfonyl-ethoxycarbonylazanide?
sodium [2,6-di(propan-2-yl)phenoxy]sulfonyl-ethoxycarbonylazanide has a molecular weight of 351.40 g/mol, XLogP of 1.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [2,6-di(propan-2-yl)phenoxy]sulfonyl-ethoxycarbonylazanide is sourced from PubChem (CID 10712899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).