2-(4-tert-butylphenoxy)sulfonylsulfonyloxynaphthalene

C20H20O6S2 — CID 91602635

IUPAC2-(4-tert-butylphenoxy)sulfonylsulfonyloxynaphthalene
SMILESCC(C)(C)c1ccc(OS(=O)(=O)S(=O)(=O)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H20O6S2/c1-20(2,3)17-9-12-18(13-10-17)25-27(21,22)28(23,24)26-19-11-8-15-6-4-5-7-16(15)14-19/h4-14H,1-3H3
InChIKeyKHRRLNREEFKYEZ-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.17
Rot. Bonds5

About 2-(4-tert-butylphenoxy)sulfonylsulfonyloxynaphthalene

2-(4-tert-butylphenoxy)sulfonylsulfonyloxynaphthalene (PubChem CID 91602635) has the molecular formula C20H20O6S2 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)sulfonylsulfonyloxynaphthalene.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)sulfonylsulfonyloxynaphthalene
PubChem CID91602635
Molecular FormulaC20H20O6S2
Molecular Weight420.51 g/mol
Exact Mass420.07
IUPAC Name2-(4-tert-butylphenoxy)sulfonylsulfonyloxynaphthalene
SMILESCC(C)(C)c1ccc(OS(=O)(=O)S(=O)(=O)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H20O6S2/c1-20(2,3)17-9-12-18(13-10-17)25-27(21,22)28(23,24)26-19-11-8-15-6-4-5-7-16(15)14-19/h4-14H,1-3H3
InChIKeyKHRRLNREEFKYEZ-UHFFFAOYSA-N
XLogP4.17
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

Analyze 2-(4-tert-butylphenoxy)sulfonylsulfonyloxynaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(4-tert-butylphenyl) naphthalen-2-yl phosphate
CID 139980260
2-[(E)-2-(4-tert-butylphenyl)ethenyl]naphthalene
CID 14597022
lithium;(4-tert-butylphenyl) hydrogen sulfate;hydride
CID 173469296
2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene
CID 159502457
2-(trinaphthalen-2-ylmethyl)naphthalene
CID 101401266
N-[(4-tert-butylphenyl)methyl]naphthalene-2-sulfonamide
CID 3780847
naphthalen-2-yl 2,3-difluorobenzenesulfonate
CID 52857029
naphthalen-2-yl 4-ethoxybenzenesulfonate
CID 5017326
(4-tert-butylphenyl) 2-[(2-methylpropan-2-yl)oxy]ethanesulfonate
CID 168776434
[dimethyl(naphthalen-2-yloxy)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 139975199
naphthalen-2-yl 2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonate
CID 52769070
1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea
CID 108884834

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)sulfonylsulfonyloxynaphthalene?
The IUPAC name of 2-(4-tert-butylphenoxy)sulfonylsulfonyloxynaphthalene (CID 91602635) is 2-(4-tert-butylphenoxy)sulfonylsulfonyloxynaphthalene.
What is the SMILES notation for 2-(4-tert-butylphenoxy)sulfonylsulfonyloxynaphthalene?
The canonical SMILES for 2-(4-tert-butylphenoxy)sulfonylsulfonyloxynaphthalene is CC(C)(C)c1ccc(OS(=O)(=O)S(=O)(=O)Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)sulfonylsulfonyloxynaphthalene?
The InChIKey is KHRRLNREEFKYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O6S2/c1-20(2,3)17-9-12-18(13-10-17)25-27(21,22)28(23,24)26-19-11-8-15-6-4-5-7-16(15)14-19/h4-14H,1-3H3.
What are the key properties of 2-(4-tert-butylphenoxy)sulfonylsulfonyloxynaphthalene?
2-(4-tert-butylphenoxy)sulfonylsulfonyloxynaphthalene has a molecular weight of 420.51 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)sulfonylsulfonyloxynaphthalene is sourced from PubChem (CID 91602635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).