2-naphthalen-2-ylsulfonylnaphthalene-1,4-diol

C20H14O4S — CID 44562747

IUPAC2-naphthalen-2-ylsulfonylnaphthalene-1,4-diol
SMILESO=S(=O)(c1ccc2ccccc2c1)c1cc(O)c2ccccc2c1O
InChIInChI=1S/C20H14O4S/c21-18-12-19(20(22)17-8-4-3-7-16(17)18)25(23,24)15-10-9-13-5-1-2-6-14(13)11-15/h1-12,21-22H
InChIKeyNEXUTBMTXKQNMP-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.24
Rot. Bonds2

About 2-naphthalen-2-ylsulfonylnaphthalene-1,4-diol

2-naphthalen-2-ylsulfonylnaphthalene-1,4-diol (PubChem CID 44562747) has the molecular formula C20H14O4S and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfonylnaphthalene-1,4-diol.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfonylnaphthalene-1,4-diol
PubChem CID44562747
Molecular FormulaC20H14O4S
Molecular Weight350.39 g/mol
Exact Mass350.06
IUPAC Name2-naphthalen-2-ylsulfonylnaphthalene-1,4-diol
SMILESO=S(=O)(c1ccc2ccccc2c1)c1cc(O)c2ccccc2c1O
InChIInChI=1S/C20H14O4S/c21-18-12-19(20(22)17-8-4-3-7-16(17)18)25(23,24)15-10-9-13-5-1-2-6-14(13)11-15/h1-12,21-22H
InChIKeyNEXUTBMTXKQNMP-UHFFFAOYSA-N
XLogP4.24
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylsulfonylnaphthalene-1,4-diol?
The IUPAC name of 2-naphthalen-2-ylsulfonylnaphthalene-1,4-diol (CID 44562747) is 2-naphthalen-2-ylsulfonylnaphthalene-1,4-diol.
What is the SMILES notation for 2-naphthalen-2-ylsulfonylnaphthalene-1,4-diol?
The canonical SMILES for 2-naphthalen-2-ylsulfonylnaphthalene-1,4-diol is O=S(=O)(c1ccc2ccccc2c1)c1cc(O)c2ccccc2c1O.
What is the InChIKey of 2-naphthalen-2-ylsulfonylnaphthalene-1,4-diol?
The InChIKey is NEXUTBMTXKQNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O4S/c21-18-12-19(20(22)17-8-4-3-7-16(17)18)25(23,24)15-10-9-13-5-1-2-6-14(13)11-15/h1-12,21-22H.
What are the key properties of 2-naphthalen-2-ylsulfonylnaphthalene-1,4-diol?
2-naphthalen-2-ylsulfonylnaphthalene-1,4-diol has a molecular weight of 350.39 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylsulfonylnaphthalene-1,4-diol is sourced from PubChem (CID 44562747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).