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

C19H22FNO5S — CID 10834516

IUPAC(4-fluorophenyl) N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate
SMILESCC(C)c1cccc(C(C)C)c1OS(=O)(=O)NC(=O)Oc1ccc(F)cc1
InChIInChI=1S/C19H22FNO5S/c1-12(2)16-6-5-7-17(13(3)4)18(16)26-27(23,24)21-19(22)25-15-10-8-14(20)9-11-15/h5-13H,1-4H3,(H,21,22)
InChIKeyYJHGYHOHAKYKKR-UHFFFAOYSA-N
MW395.45 g/mol
LogP4.48
Rot. Bonds6

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

(4-fluorophenyl) N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate (PubChem CID 10834516) has the molecular formula C19H22FNO5S and a molecular weight of 395.45 g/mol. Its IUPAC name is (4-fluorophenyl) N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate.

Molecular Properties

Compound Name(4-fluorophenyl) N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate
PubChem CID10834516
Molecular FormulaC19H22FNO5S
Molecular Weight395.45 g/mol
Exact Mass395.12
IUPAC Name(4-fluorophenyl) N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate
SMILESCC(C)c1cccc(C(C)C)c1OS(=O)(=O)NC(=O)Oc1ccc(F)cc1
InChIInChI=1S/C19H22FNO5S/c1-12(2)16-6-5-7-17(13(3)4)18(16)26-27(23,24)21-19(22)25-15-10-8-14(20)9-11-15/h5-13H,1-4H3,(H,21,22)
InChIKeyYJHGYHOHAKYKKR-UHFFFAOYSA-N
XLogP4.48
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-nitro-2,6-di(propan-2-yl)phenyl] N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate
CID 10553612
6-methylheptyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate
CID 101053505
(4-methylphenyl) N-phenoxysulfonylcarbamate
CID 142655832
[2,6-di(propan-2-yl)phenyl] N-[(E)-3-[2,4,6-tri(propan-2-yl)phenyl]prop-2-enoyl]sulfamate
CID 10207878
(2,6-dimethylphenyl) N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]sulfamate
CID 54066253
[2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate
CID 117064047
[2,6-di(propan-2-yl)phenyl] N-(2-cyclopentyl-2-phenylacetyl)sulfamate
CID 10297231
[2,6-di(propan-2-yl)phenoxy]sulfonyl acetate
CID 57208791
[2,6-di(propan-2-yl)phenyl] N-(dihexylsulfamoyl)carbamate
CID 10766697
(4-fluorophenyl) N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate
CID 25120295
(4-fluorophenyl) N-(2,2,4,4-tetramethylpentan-3-yl)carbamate
CID 171732925
[4-[[[2,6-di(propan-2-yl)phenyl]carbamoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 5177611

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate?
The IUPAC name of (4-fluorophenyl) N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate (CID 10834516) is (4-fluorophenyl) N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate.
What is the SMILES notation for (4-fluorophenyl) N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate?
The canonical SMILES for (4-fluorophenyl) N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate is CC(C)c1cccc(C(C)C)c1OS(=O)(=O)NC(=O)Oc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl) N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate?
The InChIKey is YJHGYHOHAKYKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO5S/c1-12(2)16-6-5-7-17(13(3)4)18(16)26-27(23,24)21-19(22)25-15-10-8-14(20)9-11-15/h5-13H,1-4H3,(H,21,22).
What are the key properties of (4-fluorophenyl) N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate?
(4-fluorophenyl) N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate has a molecular weight of 395.45 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate is sourced from PubChem (CID 10834516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).