4-hydroxy-4-[1-(4-methylphenyl)sulfonylindol-2-yl]naphthalen-1-one

C25H19NO4S — CID 10387927

IUPAC4-hydroxy-4-[1-(4-methylphenyl)sulfonylindol-2-yl]naphthalen-1-one
SMILESCc1ccc(S(=O)(=O)n2c(C3(O)C=CC(=O)c4ccccc43)cc3ccccc32)cc1
InChIInChI=1S/C25H19NO4S/c1-17-10-12-19(13-11-17)31(29,30)26-22-9-5-2-6-18(22)16-24(26)25(28)15-14-23(27)20-7-3-4-8-21(20)25/h2-16,28H,1H3
InChIKeyXZKAXLIEXGDUFD-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.18
Rot. Bonds3

About 4-hydroxy-4-[1-(4-methylphenyl)sulfonylindol-2-yl]naphthalen-1-one

4-hydroxy-4-[1-(4-methylphenyl)sulfonylindol-2-yl]naphthalen-1-one (PubChem CID 10387927) has the molecular formula C25H19NO4S and a molecular weight of 429.50 g/mol. Its IUPAC name is 4-hydroxy-4-[1-(4-methylphenyl)sulfonylindol-2-yl]naphthalen-1-one.

Molecular Properties

Compound Name4-hydroxy-4-[1-(4-methylphenyl)sulfonylindol-2-yl]naphthalen-1-one
PubChem CID10387927
Molecular FormulaC25H19NO4S
Molecular Weight429.50 g/mol
Exact Mass429.10
IUPAC Name4-hydroxy-4-[1-(4-methylphenyl)sulfonylindol-2-yl]naphthalen-1-one
SMILESCc1ccc(S(=O)(=O)n2c(C3(O)C=CC(=O)c4ccccc43)cc3ccccc32)cc1
InChIInChI=1S/C25H19NO4S/c1-17-10-12-19(13-11-17)31(29,30)26-22-9-5-2-6-18(22)16-24(26)25(28)15-14-23(27)20-7-3-4-8-21(20)25/h2-16,28H,1H3
InChIKeyXZKAXLIEXGDUFD-UHFFFAOYSA-N
XLogP4.18
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-[1-(4-methylphenyl)sulfonylindol-2-yl]naphthalen-1-one?
The IUPAC name of 4-hydroxy-4-[1-(4-methylphenyl)sulfonylindol-2-yl]naphthalen-1-one (CID 10387927) is 4-hydroxy-4-[1-(4-methylphenyl)sulfonylindol-2-yl]naphthalen-1-one.
What is the SMILES notation for 4-hydroxy-4-[1-(4-methylphenyl)sulfonylindol-2-yl]naphthalen-1-one?
The canonical SMILES for 4-hydroxy-4-[1-(4-methylphenyl)sulfonylindol-2-yl]naphthalen-1-one is Cc1ccc(S(=O)(=O)n2c(C3(O)C=CC(=O)c4ccccc43)cc3ccccc32)cc1.
What is the InChIKey of 4-hydroxy-4-[1-(4-methylphenyl)sulfonylindol-2-yl]naphthalen-1-one?
The InChIKey is XZKAXLIEXGDUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO4S/c1-17-10-12-19(13-11-17)31(29,30)26-22-9-5-2-6-18(22)16-24(26)25(28)15-14-23(27)20-7-3-4-8-21(20)25/h2-16,28H,1H3.
What are the key properties of 4-hydroxy-4-[1-(4-methylphenyl)sulfonylindol-2-yl]naphthalen-1-one?
4-hydroxy-4-[1-(4-methylphenyl)sulfonylindol-2-yl]naphthalen-1-one has a molecular weight of 429.50 g/mol, XLogP of 4.18, 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-(4-methylphenyl)sulfonylindol-2-yl]naphthalen-1-one is sourced from PubChem (CID 10387927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).