naphthalen-1-ylsulfonyloxysulfinyl naphthalene-1-sulfonate

C20H14O7S3 — CID 174434530

IUPACnaphthalen-1-ylsulfonyloxysulfinyl naphthalene-1-sulfonate
SMILESO=S(OS(=O)(=O)c1cccc2ccccc12)OS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C20H14O7S3/c21-28(26-29(22,23)19-13-5-9-15-7-1-3-11-17(15)19)27-30(24,25)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
InChIKeyZUYHDHSHFKSWOC-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.68
Rot. Bonds6

About naphthalen-1-ylsulfonyloxysulfinyl naphthalene-1-sulfonate

naphthalen-1-ylsulfonyloxysulfinyl naphthalene-1-sulfonate (PubChem CID 174434530) has the molecular formula C20H14O7S3 and a molecular weight of 462.53 g/mol. Its IUPAC name is naphthalen-1-ylsulfonyloxysulfinyl naphthalene-1-sulfonate.

Molecular Properties

Compound Namenaphthalen-1-ylsulfonyloxysulfinyl naphthalene-1-sulfonate
PubChem CID174434530
Molecular FormulaC20H14O7S3
Molecular Weight462.53 g/mol
Exact Mass461.99
IUPAC Namenaphthalen-1-ylsulfonyloxysulfinyl naphthalene-1-sulfonate
SMILESO=S(OS(=O)(=O)c1cccc2ccccc12)OS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C20H14O7S3/c21-28(26-29(22,23)19-13-5-9-15-7-1-3-11-17(15)19)27-30(24,25)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
InChIKeyZUYHDHSHFKSWOC-UHFFFAOYSA-N
XLogP3.68
TPSA103.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze naphthalen-1-ylsulfonyloxysulfinyl naphthalene-1-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 naphthalen-1-ylsulfonyloxysulfinyl naphthalene-1-sulfonate?
The IUPAC name of naphthalen-1-ylsulfonyloxysulfinyl naphthalene-1-sulfonate (CID 174434530) is naphthalen-1-ylsulfonyloxysulfinyl naphthalene-1-sulfonate.
What is the SMILES notation for naphthalen-1-ylsulfonyloxysulfinyl naphthalene-1-sulfonate?
The canonical SMILES for naphthalen-1-ylsulfonyloxysulfinyl naphthalene-1-sulfonate is O=S(OS(=O)(=O)c1cccc2ccccc12)OS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of naphthalen-1-ylsulfonyloxysulfinyl naphthalene-1-sulfonate?
The InChIKey is ZUYHDHSHFKSWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O7S3/c21-28(26-29(22,23)19-13-5-9-15-7-1-3-11-17(15)19)27-30(24,25)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H.
What are the key properties of naphthalen-1-ylsulfonyloxysulfinyl naphthalene-1-sulfonate?
naphthalen-1-ylsulfonyloxysulfinyl naphthalene-1-sulfonate has a molecular weight of 462.53 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylsulfonyloxysulfinyl naphthalene-1-sulfonate is sourced from PubChem (CID 174434530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).