4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one

C24H17NO4S — CID 10341787

IUPAC4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one
SMILESO=C1C=CC(O)(c2cc3ccccc3n2S(=O)(=O)c2ccc3ccccc3c2)C=C1
InChIInChI=1S/C24H17NO4S/c26-20-11-13-24(27,14-12-20)23-16-19-7-3-4-8-22(19)25(23)30(28,29)21-10-9-17-5-1-2-6-18(17)15-21/h1-16,27H
InChIKeyDNESXTUCTHUNKD-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.91
Rot. Bonds3

About 4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one

4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one (PubChem CID 10341787) has the molecular formula C24H17NO4S and a molecular weight of 415.47 g/mol. Its IUPAC name is 4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one
PubChem CID10341787
Molecular FormulaC24H17NO4S
Molecular Weight415.47 g/mol
Exact Mass415.09
IUPAC Name4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one
SMILESO=C1C=CC(O)(c2cc3ccccc3n2S(=O)(=O)c2ccc3ccccc3c2)C=C1
InChIInChI=1S/C24H17NO4S/c26-20-11-13-24(27,14-12-20)23-16-19-7-3-4-8-22(19)25(23)30(28,29)21-10-9-17-5-1-2-6-18(17)15-21/h1-16,27H
InChIKeyDNESXTUCTHUNKD-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-benzenesulfonyl-1H-indol-2-yl)-4-hydroxycyclohexa-2,5-dienone
CID 9907134
4-(1-Benzenesulfonyl-5-fluoro-1H-indol-2-yl)-4-hydroxy-cyclohexa-2,5-dienone
CID 10430033
4-Hydroxy-4-[1-(4-methylphenyl)sulfonylindol-2-yl]cyclohexa-2,5-dien-1-one
CID 10474852
4-[1-(benzenesulfonyl)-6-fluoro-1H-indol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one
CID 9929913
4-[1-(4-Fluoro-benzenesulfonyl)-1H-indol-2-yl]-4-hydroxy-cyclohexa-2,5-dienone
CID 9977243
4-Hydroxy-4-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylindol-2-yl]cyclohexa-2,5-dien-1-one
CID 10028584
4-(1-benzenesulfonyl-1H-indol-2-yl)-4-hydroxy4H-naphthalen-1-one
CID 10251274
4-hydroxy 4-[1-(toluene-4-sulfonyl)-1H-indol-2-yl]-4H-naphthalen-1-one
CID 10387927
4-[1-[5-(Dimethylamino)naphthalen-1-yl]sulfonylindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one
CID 11753908
ethyl N-[4-[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)indol-1-yl]sulfonylphenyl]carbamate
CID 16124731
4-Hydroxy-4-[1-(4-methylsulfonylphenyl)sulfonylindol-2-yl]cyclohexa-2,5-dien-1-one
CID 16124732
N-[2-[4-[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)indol-1-yl]sulfonylphenyl]ethyl]acetamide
CID 16124733

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one?
The IUPAC name of 4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one (CID 10341787) is 4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one is O=C1C=CC(O)(c2cc3ccccc3n2S(=O)(=O)c2ccc3ccccc3c2)C=C1.
What is the InChIKey of 4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one?
The InChIKey is DNESXTUCTHUNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO4S/c26-20-11-13-24(27,14-12-20)23-16-19-7-3-4-8-22(19)25(23)30(28,29)21-10-9-17-5-1-2-6-18(17)15-21/h1-16,27H.
What are the key properties of 4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one?
4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one has a molecular weight of 415.47 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(1-naphthalen-2-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 10341787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).