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

C22H23N3O4S — CID 110561194

IUPAC4-[3-(3-methylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide
SMILESCC1CCCN(C2=C(c3ccccc3)C(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)C1
InChIInChI=1S/C22H23N3O4S/c1-15-6-5-13-24(14-15)20-19(16-7-3-2-4-8-16)21(26)25(22(20)27)17-9-11-18(12-10-17)30(23,28)29/h2-4,7-12,15H,5-6,13-14H2,1H3,(H2,23,28,29)
InChIKeyHDAOBINSLZNZSC-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.35
Rot. Bonds4

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

4-[3-(3-methylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide (PubChem CID 110561194) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 4-[3-(3-methylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(3-methylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide
PubChem CID110561194
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name4-[3-(3-methylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide
SMILESCC1CCCN(C2=C(c3ccccc3)C(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)C1
InChIInChI=1S/C22H23N3O4S/c1-15-6-5-13-24(14-15)20-19(16-7-3-2-4-8-16)21(26)25(22(20)27)17-9-11-18(12-10-17)30(23,28)29/h2-4,7-12,15H,5-6,13-14H2,1H3,(H2,23,28,29)
InChIKeyHDAOBINSLZNZSC-UHFFFAOYSA-N
XLogP2.35
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[3-(3-methylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]ethyl]benzenesulfonamide
CID 110560003
propyl 4-[3-(3-methylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]benzoate
CID 110561006
3-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)-1-(4-pyrrolidin-1-ylphenyl)pyrrole-2,5-dione
CID 110543076
1-(3-chloro-4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110560573
4-[[3-(4-methylphenyl)-4-(3-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide
CID 110572821
1-(4-ethylphenyl)-3-(4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110573683
1-(2,5-difluorophenyl)-3-(3-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110562110
1-(4-ethylphenyl)-3-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110544948
1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110562155
4-[3-(3,5-dimethylpiperidin-1-yl)-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl]benzenesulfonamide
CID 110554637
3-chloro-4-[(3S)-3-methylpiperidin-1-yl]-1-phenylpyrrole-2,5-dione
CID 731400
3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110547407

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(3-methylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide (CID 110561194) is 4-[3-(3-methylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(3-methylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(3-methylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide is CC1CCCN(C2=C(c3ccccc3)C(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)C1.
What is the InChIKey of 4-[3-(3-methylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide?
The InChIKey is HDAOBINSLZNZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-15-6-5-13-24(14-15)20-19(16-7-3-2-4-8-16)21(26)25(22(20)27)17-9-11-18(12-10-17)30(23,28)29/h2-4,7-12,15H,5-6,13-14H2,1H3,(H2,23,28,29).
What are the key properties of 4-[3-(3-methylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide?
4-[3-(3-methylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide has a molecular weight of 425.51 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide is sourced from PubChem (CID 110561194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).