4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one

C24H17NO4S — CID 10251274

IUPAC4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one
SMILESO=C1C=CC(O)(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C24H17NO4S/c26-22-14-15-24(27,20-12-6-5-11-19(20)22)23-16-17-8-4-7-13-21(17)25(23)30(28,29)18-9-2-1-3-10-18/h1-16,27H
InChIKeyGUQLOCAOHJJOKA-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.87
Rot. Bonds3

About 4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one

4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one (PubChem CID 10251274) has the molecular formula C24H17NO4S and a molecular weight of 415.47 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one
PubChem CID10251274
Molecular FormulaC24H17NO4S
Molecular Weight415.47 g/mol
Exact Mass415.09
IUPAC Name4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one
SMILESO=C1C=CC(O)(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C24H17NO4S/c26-22-14-15-24(27,20-12-6-5-11-19(20)22)23-16-17-8-4-7-13-21(17)25(23)30(28,29)18-9-2-1-3-10-18/h1-16,27H
InChIKeyGUQLOCAOHJJOKA-UHFFFAOYSA-N
XLogP3.87
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one?
The IUPAC name of 4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one (CID 10251274) is 4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one.
What is the SMILES notation for 4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one?
The canonical SMILES for 4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one is O=C1C=CC(O)(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of 4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one?
The InChIKey is GUQLOCAOHJJOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO4S/c26-22-14-15-24(27,20-12-6-5-11-19(20)22)23-16-17-8-4-7-13-21(17)25(23)30(28,29)18-9-2-1-3-10-18/h1-16,27H.
What are the key properties of 4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one?
4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one has a molecular weight of 415.47 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxynaphthalen-1-one is sourced from PubChem (CID 10251274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).