(triphenyl-λ4-sulfanyl) 1,1-difluoro-2-hydroxyethanesulfonate

C20H18F2O4S2 — CID 87118500

IUPAC(triphenyl-λ4-sulfanyl) 1,1-difluoro-2-hydroxyethanesulfonate
SMILESO=S(=O)(OS(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)CO
InChIInChI=1S/C20H18F2O4S2/c21-20(22,16-23)28(24,25)26-27(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,23H,16H2
InChIKeyWMPJQUQOHNTHAS-UHFFFAOYSA-N
MW424.49 g/mol
LogP4.81
Rot. Bonds7

About (triphenyl-λ4-sulfanyl) 1,1-difluoro-2-hydroxyethanesulfonate

(triphenyl-λ4-sulfanyl) 1,1-difluoro-2-hydroxyethanesulfonate (PubChem CID 87118500) has the molecular formula C20H18F2O4S2 and a molecular weight of 424.49 g/mol. Its IUPAC name is (triphenyl-λ4-sulfanyl) 1,1-difluoro-2-hydroxyethanesulfonate.

Molecular Properties

Compound Name(triphenyl-λ4-sulfanyl) 1,1-difluoro-2-hydroxyethanesulfonate
PubChem CID87118500
Molecular FormulaC20H18F2O4S2
Molecular Weight424.49 g/mol
Exact Mass424.06
IUPAC Name(triphenyl-λ4-sulfanyl) 1,1-difluoro-2-hydroxyethanesulfonate
SMILESO=S(=O)(OS(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)CO
InChIInChI=1S/C20H18F2O4S2/c21-20(22,16-23)28(24,25)26-27(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,23H,16H2
InChIKeyWMPJQUQOHNTHAS-UHFFFAOYSA-N
XLogP4.81
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (triphenyl-λ4-sulfanyl) 1,1-difluoro-2-hydroxyethanesulfonate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (triphenyl-λ4-sulfanyl) 1,1-difluoro-2-hydroxyethanesulfonate?
The IUPAC name of (triphenyl-λ4-sulfanyl) 1,1-difluoro-2-hydroxyethanesulfonate (CID 87118500) is (triphenyl-λ4-sulfanyl) 1,1-difluoro-2-hydroxyethanesulfonate.
What is the SMILES notation for (triphenyl-λ4-sulfanyl) 1,1-difluoro-2-hydroxyethanesulfonate?
The canonical SMILES for (triphenyl-λ4-sulfanyl) 1,1-difluoro-2-hydroxyethanesulfonate is O=S(=O)(OS(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)CO.
What is the InChIKey of (triphenyl-λ4-sulfanyl) 1,1-difluoro-2-hydroxyethanesulfonate?
The InChIKey is WMPJQUQOHNTHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2O4S2/c21-20(22,16-23)28(24,25)26-27(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,23H,16H2.
What are the key properties of (triphenyl-λ4-sulfanyl) 1,1-difluoro-2-hydroxyethanesulfonate?
(triphenyl-λ4-sulfanyl) 1,1-difluoro-2-hydroxyethanesulfonate has a molecular weight of 424.49 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (triphenyl-λ4-sulfanyl) 1,1-difluoro-2-hydroxyethanesulfonate is sourced from PubChem (CID 87118500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).