sodium [2,6-di(propan-2-yl)phenoxy]carbonyl-[2,6-di(propan-2-yl)phenoxy]sulfonylazanide

C25H34NNaO5S — CID 10096821

IUPACsodium [2,6-di(propan-2-yl)phenoxy]carbonyl-[2,6-di(propan-2-yl)phenoxy]sulfonylazanide
SMILESCC(C)c1cccc(C(C)C)c1OC(=O)[N-]S(=O)(=O)Oc1c(C(C)C)cccc1C(C)C.[Na+]
InChIInChI=1S/C25H35NO5S.Na/c1-15(2)19-11-9-12-20(16(3)4)23(19)30-25(27)26-32(28,29)31-24-21(17(5)6)13-10-14-22(24)18(7)8;/h9-18H,1-8H3,(H,26,27);/q;+1/p-1
InChIKeyXVUJDEGOJDKQDX-UHFFFAOYSA-M
MW483.61 g/mol
LogP4.38
Rot. Bonds8

About sodium [2,6-di(propan-2-yl)phenoxy]carbonyl-[2,6-di(propan-2-yl)phenoxy]sulfonylazanide

sodium [2,6-di(propan-2-yl)phenoxy]carbonyl-[2,6-di(propan-2-yl)phenoxy]sulfonylazanide (PubChem CID 10096821) has the molecular formula C25H34NNaO5S and a molecular weight of 483.61 g/mol. Its IUPAC name is sodium [2,6-di(propan-2-yl)phenoxy]carbonyl-[2,6-di(propan-2-yl)phenoxy]sulfonylazanide.

Molecular Properties

Compound Namesodium [2,6-di(propan-2-yl)phenoxy]carbonyl-[2,6-di(propan-2-yl)phenoxy]sulfonylazanide
PubChem CID10096821
Molecular FormulaC25H34NNaO5S
Molecular Weight483.61 g/mol
Exact Mass483.21
IUPAC Namesodium [2,6-di(propan-2-yl)phenoxy]carbonyl-[2,6-di(propan-2-yl)phenoxy]sulfonylazanide
SMILESCC(C)c1cccc(C(C)C)c1OC(=O)[N-]S(=O)(=O)Oc1c(C(C)C)cccc1C(C)C.[Na+]
InChIInChI=1S/C25H35NO5S.Na/c1-15(2)19-11-9-12-20(16(3)4)23(19)30-25(27)26-32(28,29)31-24-21(17(5)6)13-10-14-22(24)18(7)8;/h9-18H,1-8H3,(H,26,27);/q;+1/p-1
InChIKeyXVUJDEGOJDKQDX-UHFFFAOYSA-M
XLogP4.38
TPSA83.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 54.38
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]carbonyl-[2,6-di(propan-2-yl)phenoxy]sulfonylazanide?
The IUPAC name of sodium [2,6-di(propan-2-yl)phenoxy]carbonyl-[2,6-di(propan-2-yl)phenoxy]sulfonylazanide (CID 10096821) is sodium [2,6-di(propan-2-yl)phenoxy]carbonyl-[2,6-di(propan-2-yl)phenoxy]sulfonylazanide.
What is the SMILES notation for sodium [2,6-di(propan-2-yl)phenoxy]carbonyl-[2,6-di(propan-2-yl)phenoxy]sulfonylazanide?
The canonical SMILES for sodium [2,6-di(propan-2-yl)phenoxy]carbonyl-[2,6-di(propan-2-yl)phenoxy]sulfonylazanide is CC(C)c1cccc(C(C)C)c1OC(=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]carbonyl-[2,6-di(propan-2-yl)phenoxy]sulfonylazanide?
The InChIKey is XVUJDEGOJDKQDX-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H35NO5S.Na/c1-15(2)19-11-9-12-20(16(3)4)23(19)30-25(27)26-32(28,29)31-24-21(17(5)6)13-10-14-22(24)18(7)8;/h9-18H,1-8H3,(H,26,27);/q;+1/p-1.
What are the key properties of sodium [2,6-di(propan-2-yl)phenoxy]carbonyl-[2,6-di(propan-2-yl)phenoxy]sulfonylazanide?
sodium [2,6-di(propan-2-yl)phenoxy]carbonyl-[2,6-di(propan-2-yl)phenoxy]sulfonylazanide has a molecular weight of 483.61 g/mol, XLogP of 4.38, 8 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]carbonyl-[2,6-di(propan-2-yl)phenoxy]sulfonylazanide is sourced from PubChem (CID 10096821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).