[4-fluoro-2,6-di(propan-2-yl)phenyl] N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate

C25H34FNO5S — CID 10552707

IUPAC[4-fluoro-2,6-di(propan-2-yl)phenyl] N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate
SMILESCC(C)c1cc(F)cc(C(C)C)c1OC(=O)NS(=O)(=O)Oc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C25H34FNO5S/c1-14(2)19-10-9-11-20(15(3)4)24(19)32-33(29,30)27-25(28)31-23-21(16(5)6)12-18(26)13-22(23)17(7)8/h9-17H,1-8H3,(H,27,28)
InChIKeyFNVYNCGHIQVLMO-UHFFFAOYSA-N
MW479.61 g/mol
LogP6.73
Rot. Bonds8

About [4-fluoro-2,6-di(propan-2-yl)phenyl] N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate

[4-fluoro-2,6-di(propan-2-yl)phenyl] N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate (PubChem CID 10552707) has the molecular formula C25H34FNO5S and a molecular weight of 479.61 g/mol. Its IUPAC name is [4-fluoro-2,6-di(propan-2-yl)phenyl] N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate.

Molecular Properties

Compound Name[4-fluoro-2,6-di(propan-2-yl)phenyl] N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate
PubChem CID10552707
Molecular FormulaC25H34FNO5S
Molecular Weight479.61 g/mol
Exact Mass479.21
IUPAC Name[4-fluoro-2,6-di(propan-2-yl)phenyl] N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate
SMILESCC(C)c1cc(F)cc(C(C)C)c1OC(=O)NS(=O)(=O)Oc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C25H34FNO5S/c1-14(2)19-10-9-11-20(15(3)4)24(19)32-33(29,30)27-25(28)31-23-21(16(5)6)12-18(26)13-22(23)17(7)8/h9-17H,1-8H3,(H,27,28)
InChIKeyFNVYNCGHIQVLMO-UHFFFAOYSA-N
XLogP6.73
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.61
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2,6-di(propan-2-yl)phenyl] N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate?
The IUPAC name of [4-fluoro-2,6-di(propan-2-yl)phenyl] N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate (CID 10552707) is [4-fluoro-2,6-di(propan-2-yl)phenyl] N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate.
What is the SMILES notation for [4-fluoro-2,6-di(propan-2-yl)phenyl] N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate?
The canonical SMILES for [4-fluoro-2,6-di(propan-2-yl)phenyl] N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate is CC(C)c1cc(F)cc(C(C)C)c1OC(=O)NS(=O)(=O)Oc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of [4-fluoro-2,6-di(propan-2-yl)phenyl] N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate?
The InChIKey is FNVYNCGHIQVLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FNO5S/c1-14(2)19-10-9-11-20(15(3)4)24(19)32-33(29,30)27-25(28)31-23-21(16(5)6)12-18(26)13-22(23)17(7)8/h9-17H,1-8H3,(H,27,28).
What are the key properties of [4-fluoro-2,6-di(propan-2-yl)phenyl] N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate?
[4-fluoro-2,6-di(propan-2-yl)phenyl] N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate has a molecular weight of 479.61 g/mol, XLogP of 6.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2,6-di(propan-2-yl)phenyl] N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate is sourced from PubChem (CID 10552707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).