4-[[3-(3,5-dimethylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]methyl]benzenesulfonamide

C24H27N3O4S — CID 110559840

IUPAC4-[[3-(3,5-dimethylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]methyl]benzenesulfonamide
SMILESCC1CC(C)CN(C2=C(c3ccccc3)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)C1
InChIInChI=1S/C24H27N3O4S/c1-16-12-17(2)14-26(13-16)22-21(19-6-4-3-5-7-19)23(28)27(24(22)29)15-18-8-10-20(11-9-18)32(25,30)31/h3-11,16-17H,12-15H2,1-2H3,(H2,25,30,31)
InChIKeySUMXZVUFJUFQDF-UHFFFAOYSA-N
MW453.56 g/mol
LogP2.59
Rot. Bonds5

About 4-[[3-(3,5-dimethylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]methyl]benzenesulfonamide

4-[[3-(3,5-dimethylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]methyl]benzenesulfonamide (PubChem CID 110559840) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is 4-[[3-(3,5-dimethylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[3-(3,5-dimethylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]methyl]benzenesulfonamide
PubChem CID110559840
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name4-[[3-(3,5-dimethylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]methyl]benzenesulfonamide
SMILESCC1CC(C)CN(C2=C(c3ccccc3)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)C1
InChIInChI=1S/C24H27N3O4S/c1-16-12-17(2)14-26(13-16)22-21(19-6-4-3-5-7-19)23(28)27(24(22)29)15-18-8-10-20(11-9-18)32(25,30)31/h3-11,16-17H,12-15H2,1-2H3,(H2,25,30,31)
InChIKeySUMXZVUFJUFQDF-UHFFFAOYSA-N
XLogP2.59
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[3-(3,5-dimethylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,5-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110558897
4-[[3-(4-methylphenyl)-4-(3-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide
CID 110572821
4-[2-[3-(3-methylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]ethyl]benzenesulfonamide
CID 110560003
1-benzyl-3-(3,5-dimethylpiperidin-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541203
4-[[3-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide
CID 110572820
3-(3,5-dimethylpiperidin-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione
CID 110559373
3-(3,5-dimethylpiperidin-1-yl)-1-(2-methylpropyl)-4-phenylpyrrole-2,5-dione
CID 110559926
4-[[3-(4-methylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide
CID 110572823
3-(3,5-dimethylpiperidin-1-yl)-4-phenyl-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
CID 110559556
4-[2-(2,5-dioxo-3-phenyl-4-piperidin-1-ylpyrrol-1-yl)ethyl]benzenesulfonamide
CID 110560001
N-[4-[4-(3,5-dimethylpiperidin-1-yl)-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562357
3-(3,5-dimethylpiperidin-1-yl)-1-[(4-methylphenyl)methyl]-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574953

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3,5-dimethylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-[[3-(3,5-dimethylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]methyl]benzenesulfonamide (CID 110559840) is 4-[[3-(3,5-dimethylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[3-(3,5-dimethylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[3-(3,5-dimethylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]methyl]benzenesulfonamide is CC1CC(C)CN(C2=C(c3ccccc3)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)C1.
What is the InChIKey of 4-[[3-(3,5-dimethylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]methyl]benzenesulfonamide?
The InChIKey is SUMXZVUFJUFQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-16-12-17(2)14-26(13-16)22-21(19-6-4-3-5-7-19)23(28)27(24(22)29)15-18-8-10-20(11-9-18)32(25,30)31/h3-11,16-17H,12-15H2,1-2H3,(H2,25,30,31).
What are the key properties of 4-[[3-(3,5-dimethylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]methyl]benzenesulfonamide?
4-[[3-(3,5-dimethylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]methyl]benzenesulfonamide has a molecular weight of 453.56 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3,5-dimethylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 110559840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).