1-(benzenesulfonyl)-6-(3-hydroxyphenyl)naphthalen-2-ol

C22H16O4S — CID 24950392

IUPAC1-(benzenesulfonyl)-6-(3-hydroxyphenyl)naphthalen-2-ol
SMILESO=S(=O)(c1ccccc1)c1c(O)ccc2cc(-c3cccc(O)c3)ccc12
InChIInChI=1S/C22H16O4S/c23-18-6-4-5-15(14-18)16-9-11-20-17(13-16)10-12-21(24)22(20)27(25,26)19-7-2-1-3-8-19/h1-14,23-24H
InChIKeyGUTMKRRZRGCGJL-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.75
Rot. Bonds3

About 1-(benzenesulfonyl)-6-(3-hydroxyphenyl)naphthalen-2-ol

1-(benzenesulfonyl)-6-(3-hydroxyphenyl)naphthalen-2-ol (PubChem CID 24950392) has the molecular formula C22H16O4S and a molecular weight of 376.43 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-6-(3-hydroxyphenyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(benzenesulfonyl)-6-(3-hydroxyphenyl)naphthalen-2-ol
PubChem CID24950392
Molecular FormulaC22H16O4S
Molecular Weight376.43 g/mol
Exact Mass376.08
IUPAC Name1-(benzenesulfonyl)-6-(3-hydroxyphenyl)naphthalen-2-ol
SMILESO=S(=O)(c1ccccc1)c1c(O)ccc2cc(-c3cccc(O)c3)ccc12
InChIInChI=1S/C22H16O4S/c23-18-6-4-5-15(14-18)16-9-11-20-17(13-16)10-12-21(24)22(20)27(25,26)19-7-2-1-3-8-19/h1-14,23-24H
InChIKeyGUTMKRRZRGCGJL-UHFFFAOYSA-N
XLogP4.75
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-6-(3-hydroxyphenyl)naphthalen-2-ol?
The IUPAC name of 1-(benzenesulfonyl)-6-(3-hydroxyphenyl)naphthalen-2-ol (CID 24950392) is 1-(benzenesulfonyl)-6-(3-hydroxyphenyl)naphthalen-2-ol.
What is the SMILES notation for 1-(benzenesulfonyl)-6-(3-hydroxyphenyl)naphthalen-2-ol?
The canonical SMILES for 1-(benzenesulfonyl)-6-(3-hydroxyphenyl)naphthalen-2-ol is O=S(=O)(c1ccccc1)c1c(O)ccc2cc(-c3cccc(O)c3)ccc12.
What is the InChIKey of 1-(benzenesulfonyl)-6-(3-hydroxyphenyl)naphthalen-2-ol?
The InChIKey is GUTMKRRZRGCGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O4S/c23-18-6-4-5-15(14-18)16-9-11-20-17(13-16)10-12-21(24)22(20)27(25,26)19-7-2-1-3-8-19/h1-14,23-24H.
What are the key properties of 1-(benzenesulfonyl)-6-(3-hydroxyphenyl)naphthalen-2-ol?
1-(benzenesulfonyl)-6-(3-hydroxyphenyl)naphthalen-2-ol has a molecular weight of 376.43 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-6-(3-hydroxyphenyl)naphthalen-2-ol is sourced from PubChem (CID 24950392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).