[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamic acid

C13H19NO5S — CID 19796835

IUPAC[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamic acid
SMILESCC(C)c1cccc(C(C)C)c1OS(=O)(=O)NC(=O)O
InChIInChI=1S/C13H19NO5S/c1-8(2)10-6-5-7-11(9(3)4)12(10)19-20(17,18)14-13(15)16/h5-9,14H,1-4H3,(H,15,16)
InChIKeyZOTRXWFCBBKCSY-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.82
Rot. Bonds5

About [2,6-di(propan-2-yl)phenoxy]sulfonylcarbamic acid

[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamic acid (PubChem CID 19796835) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenoxy]sulfonylcarbamic acid.

Molecular Properties

Compound Name[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamic acid
PubChem CID19796835
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamic acid
SMILESCC(C)c1cccc(C(C)C)c1OS(=O)(=O)NC(=O)O
InChIInChI=1S/C13H19NO5S/c1-8(2)10-6-5-7-11(9(3)4)12(10)19-20(17,18)14-13(15)16/h5-9,14H,1-4H3,(H,15,16)
InChIKeyZOTRXWFCBBKCSY-UHFFFAOYSA-N
XLogP2.82
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenoxy]sulfonylcarbamic acid?
The IUPAC name of [2,6-di(propan-2-yl)phenoxy]sulfonylcarbamic acid (CID 19796835) is [2,6-di(propan-2-yl)phenoxy]sulfonylcarbamic acid.
What is the SMILES notation for [2,6-di(propan-2-yl)phenoxy]sulfonylcarbamic acid?
The canonical SMILES for [2,6-di(propan-2-yl)phenoxy]sulfonylcarbamic acid is CC(C)c1cccc(C(C)C)c1OS(=O)(=O)NC(=O)O.
What is the InChIKey of [2,6-di(propan-2-yl)phenoxy]sulfonylcarbamic acid?
The InChIKey is ZOTRXWFCBBKCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-8(2)10-6-5-7-11(9(3)4)12(10)19-20(17,18)14-13(15)16/h5-9,14H,1-4H3,(H,15,16).
What are the key properties of [2,6-di(propan-2-yl)phenoxy]sulfonylcarbamic acid?
[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamic acid has a molecular weight of 301.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-di(propan-2-yl)phenoxy]sulfonylcarbamic acid is sourced from PubChem (CID 19796835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).