3'-(4-methylphenyl)sulfonylspiro[fluorene-9,5'-imidazolidine]-2',4'-dione

C22H16N2O4S — CID 118736978

IUPAC3'-(4-methylphenyl)sulfonylspiro[fluorene-9,5'-imidazolidine]-2',4'-dione
SMILESCc1ccc(S(=O)(=O)N2C(=O)NC3(C2=O)c2ccccc2-c2ccccc23)cc1
InChIInChI=1S/C22H16N2O4S/c1-14-10-12-15(13-11-14)29(27,28)24-20(25)22(23-21(24)26)18-8-4-2-6-16(18)17-7-3-5-9-19(17)22/h2-13H,1H3,(H,23,26)
InChIKeyAHFHQKJSBFLHCS-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.16
Rot. Bonds2

About 3'-(4-methylphenyl)sulfonylspiro[fluorene-9,5'-imidazolidine]-2',4'-dione

3'-(4-methylphenyl)sulfonylspiro[fluorene-9,5'-imidazolidine]-2',4'-dione (PubChem CID 118736978) has the molecular formula C22H16N2O4S and a molecular weight of 404.45 g/mol. Its IUPAC name is 3'-(4-methylphenyl)sulfonylspiro[fluorene-9,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-(4-methylphenyl)sulfonylspiro[fluorene-9,5'-imidazolidine]-2',4'-dione
PubChem CID118736978
Molecular FormulaC22H16N2O4S
Molecular Weight404.45 g/mol
Exact Mass404.08
IUPAC Name3'-(4-methylphenyl)sulfonylspiro[fluorene-9,5'-imidazolidine]-2',4'-dione
SMILESCc1ccc(S(=O)(=O)N2C(=O)NC3(C2=O)c2ccccc2-c2ccccc23)cc1
InChIInChI=1S/C22H16N2O4S/c1-14-10-12-15(13-11-14)29(27,28)24-20(25)22(23-21(24)26)18-8-4-2-6-16(18)17-7-3-5-9-19(17)22/h2-13H,1H3,(H,23,26)
InChIKeyAHFHQKJSBFLHCS-UHFFFAOYSA-N
XLogP3.16
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3'-(4-methylphenyl)sulfonylspiro[fluorene-9,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-(4-methylphenyl)sulfonylspiro[fluorene-9,5'-imidazolidine]-2',4'-dione (CID 118736978) is 3'-(4-methylphenyl)sulfonylspiro[fluorene-9,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-(4-methylphenyl)sulfonylspiro[fluorene-9,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-(4-methylphenyl)sulfonylspiro[fluorene-9,5'-imidazolidine]-2',4'-dione is Cc1ccc(S(=O)(=O)N2C(=O)NC3(C2=O)c2ccccc2-c2ccccc23)cc1.
What is the InChIKey of 3'-(4-methylphenyl)sulfonylspiro[fluorene-9,5'-imidazolidine]-2',4'-dione?
The InChIKey is AHFHQKJSBFLHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4S/c1-14-10-12-15(13-11-14)29(27,28)24-20(25)22(23-21(24)26)18-8-4-2-6-16(18)17-7-3-5-9-19(17)22/h2-13H,1H3,(H,23,26).
What are the key properties of 3'-(4-methylphenyl)sulfonylspiro[fluorene-9,5'-imidazolidine]-2',4'-dione?
3'-(4-methylphenyl)sulfonylspiro[fluorene-9,5'-imidazolidine]-2',4'-dione has a molecular weight of 404.45 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(4-methylphenyl)sulfonylspiro[fluorene-9,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 118736978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).