[(4-ethylphenyl)-diphenyl-λ4-sulfanyl] 2,4-difluorobenzenesulfonate

C26H22F2O3S2 — CID 87491677

IUPAC[(4-ethylphenyl)-diphenyl-λ4-sulfanyl] 2,4-difluorobenzenesulfonate
SMILESCCc1ccc(S(OS(=O)(=O)c2ccc(F)cc2F)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H22F2O3S2/c1-2-20-13-16-24(17-14-20)32(22-9-5-3-6-10-22,23-11-7-4-8-12-23)31-33(29,30)26-18-15-21(27)19-25(26)28/h3-19H,2H2,1H3
InChIKeyVUHWSBCIBAQARX-UHFFFAOYSA-N
MW484.59 g/mol
LogP7.13
Rot. Bonds7

About [(4-ethylphenyl)-diphenyl-λ4-sulfanyl] 2,4-difluorobenzenesulfonate

[(4-ethylphenyl)-diphenyl-λ4-sulfanyl] 2,4-difluorobenzenesulfonate (PubChem CID 87491677) has the molecular formula C26H22F2O3S2 and a molecular weight of 484.59 g/mol. Its IUPAC name is [(4-ethylphenyl)-diphenyl-λ4-sulfanyl] 2,4-difluorobenzenesulfonate.

Molecular Properties

Compound Name[(4-ethylphenyl)-diphenyl-λ4-sulfanyl] 2,4-difluorobenzenesulfonate
PubChem CID87491677
Molecular FormulaC26H22F2O3S2
Molecular Weight484.59 g/mol
Exact Mass484.10
IUPAC Name[(4-ethylphenyl)-diphenyl-λ4-sulfanyl] 2,4-difluorobenzenesulfonate
SMILESCCc1ccc(S(OS(=O)(=O)c2ccc(F)cc2F)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H22F2O3S2/c1-2-20-13-16-24(17-14-20)32(22-9-5-3-6-10-22,23-11-7-4-8-12-23)31-33(29,30)26-18-15-21(27)19-25(26)28/h3-19H,2H2,1H3
InChIKeyVUHWSBCIBAQARX-UHFFFAOYSA-N
XLogP7.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.59
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(4-ethylphenyl)-diphenyl-λ4-sulfanyl] 2,4-difluorobenzenesulfonate 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

[(4-methylphenyl)-diphenyl-λ4-sulfanyl] 2,4-difluorobenzenesulfonate
CID 87459274
[[2,6-bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenyl-λ4-sulfanyl] 2,4-difluorobenzenesulfonate
CID 87492682
[tris(4-methylphenyl)-λ4-sulfanyl] 2-fluorobenzenesulfonate
CID 87460415
1-(2,4-difluorophenyl)sulfonyl-4-(4-ethylphenyl)sulfonylpiperazine
CID 19684620
(triphenyl-λ4-sulfanyl) 4-butylbenzenesulfonate
CID 87459919
1-(benzenesulfonyl)-4-ethylbenzene
CID 578693
4-ethyl-2-fluorobenzenesulfonamide
CID 134317094
4-ethyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide
CID 9450706
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336
(triphenyl-λ4-sulfanyl) naphthalene-2-sulfonate
CID 87177204
[(4-methylsulfanylphenyl)-diphenyl-λ4-sulfanyl] 2,3,4,5,6-pentafluorobenzenesulfonate
CID 140512560
2,4-difluoro-1-methylsulfonylbenzene;titanium
CID 174383433

Frequently Asked Questions

What is the IUPAC name of [(4-ethylphenyl)-diphenyl-λ4-sulfanyl] 2,4-difluorobenzenesulfonate?
The IUPAC name of [(4-ethylphenyl)-diphenyl-λ4-sulfanyl] 2,4-difluorobenzenesulfonate (CID 87491677) is [(4-ethylphenyl)-diphenyl-λ4-sulfanyl] 2,4-difluorobenzenesulfonate.
What is the SMILES notation for [(4-ethylphenyl)-diphenyl-λ4-sulfanyl] 2,4-difluorobenzenesulfonate?
The canonical SMILES for [(4-ethylphenyl)-diphenyl-λ4-sulfanyl] 2,4-difluorobenzenesulfonate is CCc1ccc(S(OS(=O)(=O)c2ccc(F)cc2F)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(4-ethylphenyl)-diphenyl-λ4-sulfanyl] 2,4-difluorobenzenesulfonate?
The InChIKey is VUHWSBCIBAQARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2O3S2/c1-2-20-13-16-24(17-14-20)32(22-9-5-3-6-10-22,23-11-7-4-8-12-23)31-33(29,30)26-18-15-21(27)19-25(26)28/h3-19H,2H2,1H3.
What are the key properties of [(4-ethylphenyl)-diphenyl-λ4-sulfanyl] 2,4-difluorobenzenesulfonate?
[(4-ethylphenyl)-diphenyl-λ4-sulfanyl] 2,4-difluorobenzenesulfonate has a molecular weight of 484.59 g/mol, XLogP of 7.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-ethylphenyl)-diphenyl-λ4-sulfanyl] 2,4-difluorobenzenesulfonate is sourced from PubChem (CID 87491677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).