(triphenyl-λ4-sulfanyl) benzenesulfonate

C24H20O3S2 — CID 57223913

IUPAC(triphenyl-λ4-sulfanyl) benzenesulfonate
SMILESO=S(=O)(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20O3S2/c25-29(26,24-19-11-4-12-20-24)27-28(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-20H
InChIKeyKIWRCFJYKGFDBE-UHFFFAOYSA-N
MW420.56 g/mol
LogP6.29
Rot. Bonds6

About (triphenyl-λ4-sulfanyl) benzenesulfonate

(triphenyl-λ4-sulfanyl) benzenesulfonate (PubChem CID 57223913) has the molecular formula C24H20O3S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is (triphenyl-λ4-sulfanyl) benzenesulfonate.

Molecular Properties

Compound Name(triphenyl-λ4-sulfanyl) benzenesulfonate
PubChem CID57223913
Molecular FormulaC24H20O3S2
Molecular Weight420.56 g/mol
Exact Mass420.09
IUPAC Name(triphenyl-λ4-sulfanyl) benzenesulfonate
SMILESO=S(=O)(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20O3S2/c25-29(26,24-19-11-4-12-20-24)27-28(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-20H
InChIKeyKIWRCFJYKGFDBE-UHFFFAOYSA-N
XLogP6.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (triphenyl-λ4-sulfanyl) benzenesulfonate?
The IUPAC name of (triphenyl-λ4-sulfanyl) benzenesulfonate (CID 57223913) is (triphenyl-λ4-sulfanyl) benzenesulfonate.
What is the SMILES notation for (triphenyl-λ4-sulfanyl) benzenesulfonate?
The canonical SMILES for (triphenyl-λ4-sulfanyl) benzenesulfonate is O=S(=O)(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (triphenyl-λ4-sulfanyl) benzenesulfonate?
The InChIKey is KIWRCFJYKGFDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O3S2/c25-29(26,24-19-11-4-12-20-24)27-28(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-20H.
What are the key properties of (triphenyl-λ4-sulfanyl) benzenesulfonate?
(triphenyl-λ4-sulfanyl) benzenesulfonate has a molecular weight of 420.56 g/mol, XLogP of 6.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (triphenyl-λ4-sulfanyl) benzenesulfonate is sourced from PubChem (CID 57223913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).