sodium N-[2,6-di(propan-2-yl)phenyl]-N-[2,6-di(propan-2-yl)phenyl]sulfonylcarbamate

C25H34NNaO4S — CID 23717116

IUPACsodium N-[2,6-di(propan-2-yl)phenyl]-N-[2,6-di(propan-2-yl)phenyl]sulfonylcarbamate
SMILESCC(C)c1cccc(C(C)C)c1N(C(=O)[O-])S(=O)(=O)c1c(C(C)C)cccc1C(C)C.[Na+]
InChIInChI=1S/C25H35NO4S.Na/c1-15(2)19-11-9-12-20(16(3)4)23(19)26(25(27)28)31(29,30)24-21(17(5)6)13-10-14-22(24)18(7)8;/h9-18H,1-8H3,(H,27,28);/q;+1/p-1
InChIKeyUEVHOMUFNFXFNU-UHFFFAOYSA-M
MW467.61 g/mol
LogP2.72
Rot. Bonds7

About sodium N-[2,6-di(propan-2-yl)phenyl]-N-[2,6-di(propan-2-yl)phenyl]sulfonylcarbamate

sodium N-[2,6-di(propan-2-yl)phenyl]-N-[2,6-di(propan-2-yl)phenyl]sulfonylcarbamate (PubChem CID 23717116) has the molecular formula C25H34NNaO4S and a molecular weight of 467.61 g/mol. Its IUPAC name is sodium N-[2,6-di(propan-2-yl)phenyl]-N-[2,6-di(propan-2-yl)phenyl]sulfonylcarbamate.

Molecular Properties

Compound Namesodium N-[2,6-di(propan-2-yl)phenyl]-N-[2,6-di(propan-2-yl)phenyl]sulfonylcarbamate
PubChem CID23717116
Molecular FormulaC25H34NNaO4S
Molecular Weight467.61 g/mol
Exact Mass467.21
IUPAC Namesodium N-[2,6-di(propan-2-yl)phenyl]-N-[2,6-di(propan-2-yl)phenyl]sulfonylcarbamate
SMILESCC(C)c1cccc(C(C)C)c1N(C(=O)[O-])S(=O)(=O)c1c(C(C)C)cccc1C(C)C.[Na+]
InChIInChI=1S/C25H35NO4S.Na/c1-15(2)19-11-9-12-20(16(3)4)23(19)26(25(27)28)31(29,30)24-21(17(5)6)13-10-14-22(24)18(7)8;/h9-18H,1-8H3,(H,27,28);/q;+1/p-1
InChIKeyUEVHOMUFNFXFNU-UHFFFAOYSA-M
XLogP2.72
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium N-[2,6-di(propan-2-yl)phenyl]-N-[2,6-di(propan-2-yl)phenyl]sulfonylcarbamate?
The IUPAC name of sodium N-[2,6-di(propan-2-yl)phenyl]-N-[2,6-di(propan-2-yl)phenyl]sulfonylcarbamate (CID 23717116) is sodium N-[2,6-di(propan-2-yl)phenyl]-N-[2,6-di(propan-2-yl)phenyl]sulfonylcarbamate.
What is the SMILES notation for sodium N-[2,6-di(propan-2-yl)phenyl]-N-[2,6-di(propan-2-yl)phenyl]sulfonylcarbamate?
The canonical SMILES for sodium N-[2,6-di(propan-2-yl)phenyl]-N-[2,6-di(propan-2-yl)phenyl]sulfonylcarbamate is CC(C)c1cccc(C(C)C)c1N(C(=O)[O-])S(=O)(=O)c1c(C(C)C)cccc1C(C)C.[Na+].
What is the InChIKey of sodium N-[2,6-di(propan-2-yl)phenyl]-N-[2,6-di(propan-2-yl)phenyl]sulfonylcarbamate?
The InChIKey is UEVHOMUFNFXFNU-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H35NO4S.Na/c1-15(2)19-11-9-12-20(16(3)4)23(19)26(25(27)28)31(29,30)24-21(17(5)6)13-10-14-22(24)18(7)8;/h9-18H,1-8H3,(H,27,28);/q;+1/p-1.
What are the key properties of sodium N-[2,6-di(propan-2-yl)phenyl]-N-[2,6-di(propan-2-yl)phenyl]sulfonylcarbamate?
sodium N-[2,6-di(propan-2-yl)phenyl]-N-[2,6-di(propan-2-yl)phenyl]sulfonylcarbamate has a molecular weight of 467.61 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-[2,6-di(propan-2-yl)phenyl]-N-[2,6-di(propan-2-yl)phenyl]sulfonylcarbamate is sourced from PubChem (CID 23717116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).