2-(2-naphthalen-2-ylsulfonylsulfanylethylsulfanylsulfonyl)naphthalene

C22H18O4S4 — CID 581617

IUPAC2-(2-naphthalen-2-ylsulfonylsulfanylethylsulfanylsulfonyl)naphthalene
SMILESO=S(=O)(SCCSS(=O)(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C22H18O4S4/c23-29(24,21-11-9-17-5-1-3-7-19(17)15-21)27-13-14-28-30(25,26)22-12-10-18-6-2-4-8-20(18)16-22/h1-12,15-16H,13-14H2
InChIKeyZSJOIGBTOLQTMB-UHFFFAOYSA-N
MW474.65 g/mol
LogP5.54
Rot. Bonds7

About 2-(2-naphthalen-2-ylsulfonylsulfanylethylsulfanylsulfonyl)naphthalene

2-(2-naphthalen-2-ylsulfonylsulfanylethylsulfanylsulfonyl)naphthalene (PubChem CID 581617) has the molecular formula C22H18O4S4 and a molecular weight of 474.65 g/mol. Its IUPAC name is 2-(2-naphthalen-2-ylsulfonylsulfanylethylsulfanylsulfonyl)naphthalene.

Molecular Properties

Compound Name2-(2-naphthalen-2-ylsulfonylsulfanylethylsulfanylsulfonyl)naphthalene
PubChem CID581617
Molecular FormulaC22H18O4S4
Molecular Weight474.65 g/mol
Exact Mass474.01
IUPAC Name2-(2-naphthalen-2-ylsulfonylsulfanylethylsulfanylsulfonyl)naphthalene
SMILESO=S(=O)(SCCSS(=O)(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C22H18O4S4/c23-29(24,21-11-9-17-5-1-3-7-19(17)15-21)27-13-14-28-30(25,26)22-12-10-18-6-2-4-8-20(18)16-22/h1-12,15-16H,13-14H2
InChIKeyZSJOIGBTOLQTMB-UHFFFAOYSA-N
XLogP5.54
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

naphthalene-2-sulfonic acid
CID 8420
naphthalene-2-sulfonic acid;zinc
CID 87263273
CID 87246277
CID 87246277
CID 88530425
CID 88530425
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
naphthalen-2-ylsulfonyl N,N-diethylcarbamodithioate
CID 101047827
Dispersing Agent NNO
CID 156594502
methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078
2-[4-(bromomethyl)phenyl]sulfonylnaphthalene
CID 54331291
ethyl naphthalene-2-sulfonate;iron
CID 87451141
tetracene-2-sulfonic acid
CID 21483873
2-(4-chlorophenyl)sulfonylnaphthalene
CID 2506576

Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-2-ylsulfonylsulfanylethylsulfanylsulfonyl)naphthalene?
The IUPAC name of 2-(2-naphthalen-2-ylsulfonylsulfanylethylsulfanylsulfonyl)naphthalene (CID 581617) is 2-(2-naphthalen-2-ylsulfonylsulfanylethylsulfanylsulfonyl)naphthalene.
What is the SMILES notation for 2-(2-naphthalen-2-ylsulfonylsulfanylethylsulfanylsulfonyl)naphthalene?
The canonical SMILES for 2-(2-naphthalen-2-ylsulfonylsulfanylethylsulfanylsulfonyl)naphthalene is O=S(=O)(SCCSS(=O)(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 2-(2-naphthalen-2-ylsulfonylsulfanylethylsulfanylsulfonyl)naphthalene?
The InChIKey is ZSJOIGBTOLQTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O4S4/c23-29(24,21-11-9-17-5-1-3-7-19(17)15-21)27-13-14-28-30(25,26)22-12-10-18-6-2-4-8-20(18)16-22/h1-12,15-16H,13-14H2.
What are the key properties of 2-(2-naphthalen-2-ylsulfonylsulfanylethylsulfanylsulfonyl)naphthalene?
2-(2-naphthalen-2-ylsulfonylsulfanylethylsulfanylsulfonyl)naphthalene has a molecular weight of 474.65 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-2-ylsulfonylsulfanylethylsulfanylsulfonyl)naphthalene is sourced from PubChem (CID 581617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).