4'-benzoyl-1'-(4-methylphenyl)sulfonylspiro[fluorene-9,3'-pyrrolidine]-2'-one

C30H23NO4S — CID 132595480

IUPAC4'-benzoyl-1'-(4-methylphenyl)sulfonylspiro[fluorene-9,3'-pyrrolidine]-2'-one
SMILESCc1ccc(S(=O)(=O)N2CC(C(=O)c3ccccc3)C3(C2=O)c2ccccc2-c2ccccc23)cc1
InChIInChI=1S/C30H23NO4S/c1-20-15-17-22(18-16-20)36(34,35)31-19-27(28(32)21-9-3-2-4-10-21)30(29(31)33)25-13-7-5-11-23(25)24-12-6-8-14-26(24)30/h2-18,27H,19H2,1H3
InChIKeyPQSUDXWYVUEKIB-UHFFFAOYSA-N
MW493.58 g/mol
LogP4.99
Rot. Bonds4

About 4'-benzoyl-1'-(4-methylphenyl)sulfonylspiro[fluorene-9,3'-pyrrolidine]-2'-one

4'-benzoyl-1'-(4-methylphenyl)sulfonylspiro[fluorene-9,3'-pyrrolidine]-2'-one (PubChem CID 132595480) has the molecular formula C30H23NO4S and a molecular weight of 493.58 g/mol. Its IUPAC name is 4'-benzoyl-1'-(4-methylphenyl)sulfonylspiro[fluorene-9,3'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name4'-benzoyl-1'-(4-methylphenyl)sulfonylspiro[fluorene-9,3'-pyrrolidine]-2'-one
PubChem CID132595480
Molecular FormulaC30H23NO4S
Molecular Weight493.58 g/mol
Exact Mass493.13
IUPAC Name4'-benzoyl-1'-(4-methylphenyl)sulfonylspiro[fluorene-9,3'-pyrrolidine]-2'-one
SMILESCc1ccc(S(=O)(=O)N2CC(C(=O)c3ccccc3)C3(C2=O)c2ccccc2-c2ccccc23)cc1
InChIInChI=1S/C30H23NO4S/c1-20-15-17-22(18-16-20)36(34,35)31-19-27(28(32)21-9-3-2-4-10-21)30(29(31)33)25-13-7-5-11-23(25)24-12-6-8-14-26(24)30/h2-18,27H,19H2,1H3
InChIKeyPQSUDXWYVUEKIB-UHFFFAOYSA-N
XLogP4.99
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(4-Methylphenyl)sulfonyl-4'-[3-(trifluoromethyl)benzoyl]spiro[fluorene-9,3'-pyrrolidine]-2'-one
CID 135033718
(2'S,4'S)-4'-ethenyl-1'-(4-methylphenyl)sulfonyl-2'-[4-(trifluoromethyl)phenyl]spiro[indene-2,3'-pyrrolidine]-1,3-dione
CID 155936053
[(3S,4R)-1-(4-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-1-enyl]pyrrolidin-3-yl]-phenylmethanone
CID 46930114
(3S)-2-(4-methylphenyl)sulfonyl-3-[(2R,3S)-1-oxo-1,3-diphenylpentan-2-yl]-3H-isoindol-1-one
CID 134942981
[(3S,4R)-1-(4-methylphenyl)sulfonyl-4-(1-phenylethenyl)pyrrolidin-3-yl]-phenylmethanone
CID 134951918
4'-(3,4-Dimethylbenzoyl)-1'-(4-methylphenyl)sulfonylspiro[fluorene-9,3'-pyrrole]-2'-one
CID 138964728
(3aS,7R,7aS)-7-benzoyl-2-(4-methylphenyl)sulfonyl-3a,4,5,6,7,7a-hexahydro-3H-isoindol-1-one
CID 139094889
(4S)-4-(2-methylphenyl)-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-one
CID 139095529
trans-3,4-Dibenzoyl-tosylpyrrolidine
CID 139116478
(3R,4'S)-4'-methyl-1'-(4-methylphenyl)sulfonylspiro[2H-indene-3,3'-pyrrolidine]-1-one
CID 154713402
(2'S,4'S)-4'-ethenyl-1'-(4-methylphenyl)sulfonyl-2'-phenylspiro[indene-2,3'-pyrrolidine]-1,3-dione
CID 155936048
(2'S,4'S)-4'-ethenyl-2'-(4-methylphenyl)-1'-(4-methylphenyl)sulfonylspiro[indene-2,3'-pyrrolidine]-1,3-dione
CID 155936050

Frequently Asked Questions

What is the IUPAC name of 4'-benzoyl-1'-(4-methylphenyl)sulfonylspiro[fluorene-9,3'-pyrrolidine]-2'-one?
The IUPAC name of 4'-benzoyl-1'-(4-methylphenyl)sulfonylspiro[fluorene-9,3'-pyrrolidine]-2'-one (CID 132595480) is 4'-benzoyl-1'-(4-methylphenyl)sulfonylspiro[fluorene-9,3'-pyrrolidine]-2'-one.
What is the SMILES notation for 4'-benzoyl-1'-(4-methylphenyl)sulfonylspiro[fluorene-9,3'-pyrrolidine]-2'-one?
The canonical SMILES for 4'-benzoyl-1'-(4-methylphenyl)sulfonylspiro[fluorene-9,3'-pyrrolidine]-2'-one is Cc1ccc(S(=O)(=O)N2CC(C(=O)c3ccccc3)C3(C2=O)c2ccccc2-c2ccccc23)cc1.
What is the InChIKey of 4'-benzoyl-1'-(4-methylphenyl)sulfonylspiro[fluorene-9,3'-pyrrolidine]-2'-one?
The InChIKey is PQSUDXWYVUEKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23NO4S/c1-20-15-17-22(18-16-20)36(34,35)31-19-27(28(32)21-9-3-2-4-10-21)30(29(31)33)25-13-7-5-11-23(25)24-12-6-8-14-26(24)30/h2-18,27H,19H2,1H3.
What are the key properties of 4'-benzoyl-1'-(4-methylphenyl)sulfonylspiro[fluorene-9,3'-pyrrolidine]-2'-one?
4'-benzoyl-1'-(4-methylphenyl)sulfonylspiro[fluorene-9,3'-pyrrolidine]-2'-one has a molecular weight of 493.58 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-benzoyl-1'-(4-methylphenyl)sulfonylspiro[fluorene-9,3'-pyrrolidine]-2'-one is sourced from PubChem (CID 132595480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).