naphthalen-1-ylsulfonyl(triphenyl)-λ4-sulfane

C28H22O2S2 — CID 69106567

IUPACnaphthalen-1-ylsulfonyl(triphenyl)-λ4-sulfane
SMILESO=S(=O)(c1cccc2ccccc12)S(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H22O2S2/c29-32(30,28-22-12-14-23-13-10-11-21-27(23)28)31(24-15-4-1-5-16-24,25-17-6-2-7-18-25)26-19-8-3-9-20-26/h1-22H
InChIKeyWFHNQPQTXGZDGH-UHFFFAOYSA-N
MW454.62 g/mol
LogP7.51
Rot. Bonds5

About naphthalen-1-ylsulfonyl(triphenyl)-λ4-sulfane

naphthalen-1-ylsulfonyl(triphenyl)-λ4-sulfane (PubChem CID 69106567) has the molecular formula C28H22O2S2 and a molecular weight of 454.62 g/mol. Its IUPAC name is naphthalen-1-ylsulfonyl(triphenyl)-λ4-sulfane.

Molecular Properties

Compound Namenaphthalen-1-ylsulfonyl(triphenyl)-λ4-sulfane
PubChem CID69106567
Molecular FormulaC28H22O2S2
Molecular Weight454.62 g/mol
Exact Mass454.11
IUPAC Namenaphthalen-1-ylsulfonyl(triphenyl)-λ4-sulfane
SMILESO=S(=O)(c1cccc2ccccc12)S(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H22O2S2/c29-32(30,28-22-12-14-23-13-10-11-21-27(23)28)31(24-15-4-1-5-16-24,25-17-6-2-7-18-25)26-19-8-3-9-20-26/h1-22H
InChIKeyWFHNQPQTXGZDGH-UHFFFAOYSA-N
XLogP7.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.62
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl-hydroxy-naphthalen-1-yl-phenyl-λ4-sulfane
CID 57322681
naphthalene-1-sulfonic acid
CID 158712346
1-methylsulfonylnaphthalene
CID 11206535
CID 87599032
CID 87599032
azane;naphthalene-1-sulfonamide
CID 174765300
CID 87877281
CID 87877281
aluminum naphthalene-1-sulfonic acid
CID 19753639
potassium;hydride;naphthalene-1-sulfonic acid
CID 173036389
lithium;hydride;naphthalene-1-sulfonic acid;hydrate
CID 173436914
(NE)-N-benzylidenenaphthalene-1-sulfonamide
CID 15184776
N-phenylnaphthalene-1-sulfonamide
CID 3816137
1-(trichloromethylsulfonyl)naphthalene
CID 139626793

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylsulfonyl(triphenyl)-λ4-sulfane?
The IUPAC name of naphthalen-1-ylsulfonyl(triphenyl)-λ4-sulfane (CID 69106567) is naphthalen-1-ylsulfonyl(triphenyl)-λ4-sulfane.
What is the SMILES notation for naphthalen-1-ylsulfonyl(triphenyl)-λ4-sulfane?
The canonical SMILES for naphthalen-1-ylsulfonyl(triphenyl)-λ4-sulfane is O=S(=O)(c1cccc2ccccc12)S(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of naphthalen-1-ylsulfonyl(triphenyl)-λ4-sulfane?
The InChIKey is WFHNQPQTXGZDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O2S2/c29-32(30,28-22-12-14-23-13-10-11-21-27(23)28)31(24-15-4-1-5-16-24,25-17-6-2-7-18-25)26-19-8-3-9-20-26/h1-22H.
What are the key properties of naphthalen-1-ylsulfonyl(triphenyl)-λ4-sulfane?
naphthalen-1-ylsulfonyl(triphenyl)-λ4-sulfane has a molecular weight of 454.62 g/mol, XLogP of 7.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylsulfonyl(triphenyl)-λ4-sulfane is sourced from PubChem (CID 69106567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).