1-benzyl-3-(4-chlorophenyl)-5-(4-methylphenyl)sulfonylpiperidine-2,6-dione

C25H22ClNO4S — CID 11225131

IUPAC1-benzyl-3-(4-chlorophenyl)-5-(4-methylphenyl)sulfonylpiperidine-2,6-dione
SMILESCc1ccc(S(=O)(=O)C2CC(c3ccc(Cl)cc3)C(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C25H22ClNO4S/c1-17-7-13-21(14-8-17)32(30,31)23-15-22(19-9-11-20(26)12-10-19)24(28)27(25(23)29)16-18-5-3-2-4-6-18/h2-14,22-23H,15-16H2,1H3
InChIKeyOXFZKEBVIGTMHA-UHFFFAOYSA-N
MW467.97 g/mol
LogP4.53
Rot. Bonds5

About 1-benzyl-3-(4-chlorophenyl)-5-(4-methylphenyl)sulfonylpiperidine-2,6-dione

1-benzyl-3-(4-chlorophenyl)-5-(4-methylphenyl)sulfonylpiperidine-2,6-dione (PubChem CID 11225131) has the molecular formula C25H22ClNO4S and a molecular weight of 467.97 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)-5-(4-methylphenyl)sulfonylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)-5-(4-methylphenyl)sulfonylpiperidine-2,6-dione
PubChem CID11225131
Molecular FormulaC25H22ClNO4S
Molecular Weight467.97 g/mol
Exact Mass467.10
IUPAC Name1-benzyl-3-(4-chlorophenyl)-5-(4-methylphenyl)sulfonylpiperidine-2,6-dione
SMILESCc1ccc(S(=O)(=O)C2CC(c3ccc(Cl)cc3)C(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C25H22ClNO4S/c1-17-7-13-21(14-8-17)32(30,31)23-15-22(19-9-11-20(26)12-10-19)24(28)27(25(23)29)16-18-5-3-2-4-6-18/h2-14,22-23H,15-16H2,1H3
InChIKeyOXFZKEBVIGTMHA-UHFFFAOYSA-N
XLogP4.53
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.97
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-6-hydroxy-3-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-one
CID 101169796
4,11-dibenzyl-7,14-bis(4-methylphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 3922692
N-[[(3aR,6aR)-2-benzyl-1,3,4-trioxo-3a,6a-dihydrocyclopenta[c]pyrrol-5-yl]methyl]-4-methylbenzenesulfonamide
CID 177437471
3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one
CID 155907261
(3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 785093
(3S,4S)-1-benzyl-3,4-bis[(4-chlorophenyl)sulfanyl]pyrrolidine-2,5-dione
CID 98150978
2-benzyl-1-(4-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 67665365
(3R,5R)-3-methoxy-5-(4-methylphenyl)sulfonyl-1-prop-2-enylpiperidine-2,6-dione
CID 101351558
1-benzyl-2-(4-methylphenyl)-2,3-dihydropyridin-4-one
CID 10956806
(3S,5R)-1-benzyl-5-methyl-3-phenylpyrrolidin-2-one
CID 102599255
(2'R,3S)-1-benzyl-1'-(4-methylphenyl)sulfonyl-2'-phenylspiro[indole-3,3'-pyrrolidine]-2-one
CID 101007357
[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol
CID 124858614

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chlorophenyl)-5-(4-methylphenyl)sulfonylpiperidine-2,6-dione?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)-5-(4-methylphenyl)sulfonylpiperidine-2,6-dione (CID 11225131) is 1-benzyl-3-(4-chlorophenyl)-5-(4-methylphenyl)sulfonylpiperidine-2,6-dione.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)-5-(4-methylphenyl)sulfonylpiperidine-2,6-dione?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)-5-(4-methylphenyl)sulfonylpiperidine-2,6-dione is Cc1ccc(S(=O)(=O)C2CC(c3ccc(Cl)cc3)C(=O)N(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)-5-(4-methylphenyl)sulfonylpiperidine-2,6-dione?
The InChIKey is OXFZKEBVIGTMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClNO4S/c1-17-7-13-21(14-8-17)32(30,31)23-15-22(19-9-11-20(26)12-10-19)24(28)27(25(23)29)16-18-5-3-2-4-6-18/h2-14,22-23H,15-16H2,1H3.
What are the key properties of 1-benzyl-3-(4-chlorophenyl)-5-(4-methylphenyl)sulfonylpiperidine-2,6-dione?
1-benzyl-3-(4-chlorophenyl)-5-(4-methylphenyl)sulfonylpiperidine-2,6-dione has a molecular weight of 467.97 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chlorophenyl)-5-(4-methylphenyl)sulfonylpiperidine-2,6-dione is sourced from PubChem (CID 11225131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).