4-(3-hydroxynaphthalen-1-yl)sulfonylsulfonylnaphthalen-2-ol

C20H14O6S2 — CID 66721960

IUPAC4-(3-hydroxynaphthalen-1-yl)sulfonylsulfonylnaphthalen-2-ol
SMILESO=S(=O)(c1cc(O)cc2ccccc12)S(=O)(=O)c1cc(O)cc2ccccc12
InChIInChI=1S/C20H14O6S2/c21-15-9-13-5-1-3-7-17(13)19(11-15)27(23,24)28(25,26)20-12-16(22)10-14-6-2-4-8-18(14)20/h1-12,21-22H
InChIKeyJISGCUGKPYJJID-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.57
Rot. Bonds3

About 4-(3-hydroxynaphthalen-1-yl)sulfonylsulfonylnaphthalen-2-ol

4-(3-hydroxynaphthalen-1-yl)sulfonylsulfonylnaphthalen-2-ol (PubChem CID 66721960) has the molecular formula C20H14O6S2 and a molecular weight of 414.46 g/mol. Its IUPAC name is 4-(3-hydroxynaphthalen-1-yl)sulfonylsulfonylnaphthalen-2-ol.

Molecular Properties

Compound Name4-(3-hydroxynaphthalen-1-yl)sulfonylsulfonylnaphthalen-2-ol
PubChem CID66721960
Molecular FormulaC20H14O6S2
Molecular Weight414.46 g/mol
Exact Mass414.02
IUPAC Name4-(3-hydroxynaphthalen-1-yl)sulfonylsulfonylnaphthalen-2-ol
SMILESO=S(=O)(c1cc(O)cc2ccccc12)S(=O)(=O)c1cc(O)cc2ccccc12
InChIInChI=1S/C20H14O6S2/c21-15-9-13-5-1-3-7-17(13)19(11-15)27(23,24)28(25,26)20-12-16(22)10-14-6-2-4-8-18(14)20/h1-12,21-22H
InChIKeyJISGCUGKPYJJID-UHFFFAOYSA-N
XLogP3.57
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

Analyze 4-(3-hydroxynaphthalen-1-yl)sulfonylsulfonylnaphthalen-2-ol 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 4-(3-hydroxynaphthalen-1-yl)sulfonylsulfonylnaphthalen-2-ol?
The IUPAC name of 4-(3-hydroxynaphthalen-1-yl)sulfonylsulfonylnaphthalen-2-ol (CID 66721960) is 4-(3-hydroxynaphthalen-1-yl)sulfonylsulfonylnaphthalen-2-ol.
What is the SMILES notation for 4-(3-hydroxynaphthalen-1-yl)sulfonylsulfonylnaphthalen-2-ol?
The canonical SMILES for 4-(3-hydroxynaphthalen-1-yl)sulfonylsulfonylnaphthalen-2-ol is O=S(=O)(c1cc(O)cc2ccccc12)S(=O)(=O)c1cc(O)cc2ccccc12.
What is the InChIKey of 4-(3-hydroxynaphthalen-1-yl)sulfonylsulfonylnaphthalen-2-ol?
The InChIKey is JISGCUGKPYJJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O6S2/c21-15-9-13-5-1-3-7-17(13)19(11-15)27(23,24)28(25,26)20-12-16(22)10-14-6-2-4-8-18(14)20/h1-12,21-22H.
What are the key properties of 4-(3-hydroxynaphthalen-1-yl)sulfonylsulfonylnaphthalen-2-ol?
4-(3-hydroxynaphthalen-1-yl)sulfonylsulfonylnaphthalen-2-ol has a molecular weight of 414.46 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxynaphthalen-1-yl)sulfonylsulfonylnaphthalen-2-ol is sourced from PubChem (CID 66721960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).