(triphenyl-λ4-sulfanyl) naphthalene-2-sulfonate

C28H22O3S2 — CID 87177204

IUPAC(triphenyl-λ4-sulfanyl) naphthalene-2-sulfonate
SMILESO=S(=O)(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C28H22O3S2/c29-33(30,28-21-20-23-12-10-11-13-24(23)22-28)31-32(25-14-4-1-5-15-25,26-16-6-2-7-17-26)27-18-8-3-9-19-27/h1-22H
InChIKeyWNBBYMXSECFZAN-UHFFFAOYSA-N
MW470.62 g/mol
LogP7.44
Rot. Bonds6

About (triphenyl-λ4-sulfanyl) naphthalene-2-sulfonate

(triphenyl-λ4-sulfanyl) naphthalene-2-sulfonate (PubChem CID 87177204) has the molecular formula C28H22O3S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is (triphenyl-λ4-sulfanyl) naphthalene-2-sulfonate.

Molecular Properties

Compound Name(triphenyl-λ4-sulfanyl) naphthalene-2-sulfonate
PubChem CID87177204
Molecular FormulaC28H22O3S2
Molecular Weight470.62 g/mol
Exact Mass470.10
IUPAC Name(triphenyl-λ4-sulfanyl) naphthalene-2-sulfonate
SMILESO=S(=O)(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C28H22O3S2/c29-33(30,28-21-20-23-12-10-11-13-24(23)22-28)31-32(25-14-4-1-5-15-25,26-16-6-2-7-17-26)27-18-8-3-9-19-27/h1-22H
InChIKeyWNBBYMXSECFZAN-UHFFFAOYSA-N
XLogP7.44
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (triphenyl-λ4-sulfanyl) naphthalene-2-sulfonate 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) naphthalene-2-sulfonate?
The IUPAC name of (triphenyl-λ4-sulfanyl) naphthalene-2-sulfonate (CID 87177204) is (triphenyl-λ4-sulfanyl) naphthalene-2-sulfonate.
What is the SMILES notation for (triphenyl-λ4-sulfanyl) naphthalene-2-sulfonate?
The canonical SMILES for (triphenyl-λ4-sulfanyl) naphthalene-2-sulfonate is O=S(=O)(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of (triphenyl-λ4-sulfanyl) naphthalene-2-sulfonate?
The InChIKey is WNBBYMXSECFZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O3S2/c29-33(30,28-21-20-23-12-10-11-13-24(23)22-28)31-32(25-14-4-1-5-15-25,26-16-6-2-7-17-26)27-18-8-3-9-19-27/h1-22H.
What are the key properties of (triphenyl-λ4-sulfanyl) naphthalene-2-sulfonate?
(triphenyl-λ4-sulfanyl) naphthalene-2-sulfonate has a molecular weight of 470.62 g/mol, XLogP of 7.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (triphenyl-λ4-sulfanyl) naphthalene-2-sulfonate is sourced from PubChem (CID 87177204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).