[naphthalen-1-yl(diphenyl)-lambda4-sulfanyl] trifluoromethanesulfonate

C23H17F3O3S2 — CID 2782342

IUPAC[naphthalen-1-yl(diphenyl)-lambda4-sulfanyl] trifluoromethanesulfonate
SMILESO=S(=O)(OS(c1ccccc1)(c1ccccc1)c1cccc2ccccc12)C(F)(F)F
InChIInChI=1S/C23H17F3O3S2/c24-23(25,26)31(27,28)29-30(19-12-3-1-4-13-19,20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22/h1-17H
InChIKeyVJBTYKFEWUVBFJ-UHFFFAOYSA-N
MW462.51 g/mol
LogP6.90
Rot. Bonds5

About [naphthalen-1-yl(diphenyl)-lambda4-sulfanyl] trifluoromethanesulfonate

[naphthalen-1-yl(diphenyl)-lambda4-sulfanyl] trifluoromethanesulfonate (PubChem CID 2782342) has the molecular formula C23H17F3O3S2 and a molecular weight of 462.51 g/mol. Its IUPAC name is [naphthalen-1-yl(diphenyl)-lambda4-sulfanyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[naphthalen-1-yl(diphenyl)-lambda4-sulfanyl] trifluoromethanesulfonate
PubChem CID2782342
Molecular FormulaC23H17F3O3S2
Molecular Weight462.51 g/mol
Exact Mass462.06
IUPAC Name[naphthalen-1-yl(diphenyl)-lambda4-sulfanyl] trifluoromethanesulfonate
SMILESO=S(=O)(OS(c1ccccc1)(c1ccccc1)c1cccc2ccccc12)C(F)(F)F
InChIInChI=1S/C23H17F3O3S2/c24-23(25,26)31(27,28)29-30(19-12-3-1-4-13-19,20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22/h1-17H
InChIKeyVJBTYKFEWUVBFJ-UHFFFAOYSA-N
XLogP6.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.51
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [naphthalen-1-yl(diphenyl)-lambda4-sulfanyl] trifluoromethanesulfonate 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

2-Naphthyl-p-tolyl sulfone
CID 518736
1,1'-Dinaphthyl sulfone
CID 853912
(Naphthalen-1-yl)(diphenyl)sulfanium trifluoromethanesulfonate
CID 16217888
Binaphthyl sulfone
CID 581590
Di(1-naphthyl)sulfide
CID 625448
1,1'-Sulfinyldinaphthalene
CID 14001577
Naphthyl phenyl sulfoxide
CID 19876177
1-[3-(4-Fluorophenyl)-5-methylphenyl]sulfanylnaphthalene
CID 139249064
Calcium;naphthalene-1-sulfonate
CID 14917348
Methylene dinaphthalene sulphonate
CID 18000678
1-[Benzenesulfonyl-bis(4-fluorophenyl)methyl]-4-fluorobenzene
CID 18457143
2,6-Bis(4-fluorobenzenesulfonyl) naphthalene
CID 101928000

Frequently Asked Questions

What is the IUPAC name of [naphthalen-1-yl(diphenyl)-lambda4-sulfanyl] trifluoromethanesulfonate?
The IUPAC name of [naphthalen-1-yl(diphenyl)-lambda4-sulfanyl] trifluoromethanesulfonate (CID 2782342) is [naphthalen-1-yl(diphenyl)-lambda4-sulfanyl] trifluoromethanesulfonate.
What is the SMILES notation for [naphthalen-1-yl(diphenyl)-lambda4-sulfanyl] trifluoromethanesulfonate?
The canonical SMILES for [naphthalen-1-yl(diphenyl)-lambda4-sulfanyl] trifluoromethanesulfonate is O=S(=O)(OS(c1ccccc1)(c1ccccc1)c1cccc2ccccc12)C(F)(F)F.
What is the InChIKey of [naphthalen-1-yl(diphenyl)-lambda4-sulfanyl] trifluoromethanesulfonate?
The InChIKey is VJBTYKFEWUVBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3O3S2/c24-23(25,26)31(27,28)29-30(19-12-3-1-4-13-19,20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22/h1-17H.
What are the key properties of [naphthalen-1-yl(diphenyl)-lambda4-sulfanyl] trifluoromethanesulfonate?
[naphthalen-1-yl(diphenyl)-lambda4-sulfanyl] trifluoromethanesulfonate has a molecular weight of 462.51 g/mol, XLogP of 6.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [naphthalen-1-yl(diphenyl)-lambda4-sulfanyl] trifluoromethanesulfonate is sourced from PubChem (CID 2782342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).