4-[[3-(4-methylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide

C22H23N3O5S — CID 110572823

IUPAC4-[[3-(4-methylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide
SMILESCc1ccc(C2=C(N3CCOCC3)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1
InChIInChI=1S/C22H23N3O5S/c1-15-2-6-17(7-3-15)19-20(24-10-12-30-13-11-24)22(27)25(21(19)26)14-16-4-8-18(9-5-16)31(23,28)29/h2-9H,10-14H2,1H3,(H2,23,28,29)
InChIKeyJHCQGZXSVBFIFW-UHFFFAOYSA-N
MW441.51 g/mol
LogP1.25
Rot. Bonds5

About 4-[[3-(4-methylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide

4-[[3-(4-methylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide (PubChem CID 110572823) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is 4-[[3-(4-methylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[3-(4-methylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide
PubChem CID110572823
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC Name4-[[3-(4-methylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide
SMILESCc1ccc(C2=C(N3CCOCC3)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1
InChIInChI=1S/C22H23N3O5S/c1-15-2-6-17(7-3-15)19-20(24-10-12-30-13-11-24)22(27)25(21(19)26)14-16-4-8-18(9-5-16)31(23,28)29/h2-9H,10-14H2,1H3,(H2,23,28,29)
InChIKeyJHCQGZXSVBFIFW-UHFFFAOYSA-N
XLogP1.25
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide
CID 110572820
4-[[3-(4-methylphenyl)-4-(3-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide
CID 110572821
4-[[3-(3,5-dimethylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]methyl]benzenesulfonamide
CID 110559840
1-benzyl-3-morpholin-4-yl-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541206
1-benzyl-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110546476
1-[(4-chlorophenyl)methyl]-3-morpholin-4-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110576392
1-(3-methoxypropyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110572721
4-[2-(2,5-dioxo-3-phenyl-4-piperidin-1-ylpyrrol-1-yl)ethyl]benzenesulfonamide
CID 110560001
4-[2-[3-chloro-4-(4-methylphenyl)-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide
CID 110584213
1-(1,3-benzodioxol-5-ylmethyl)-3-morpholin-4-yl-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541041
3-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110563982
1-ethyl-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110559416

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-methylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-[[3-(4-methylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide (CID 110572823) is 4-[[3-(4-methylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[3-(4-methylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[3-(4-methylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide is Cc1ccc(C2=C(N3CCOCC3)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1.
What is the InChIKey of 4-[[3-(4-methylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide?
The InChIKey is JHCQGZXSVBFIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-15-2-6-17(7-3-15)19-20(24-10-12-30-13-11-24)22(27)25(21(19)26)14-16-4-8-18(9-5-16)31(23,28)29/h2-9H,10-14H2,1H3,(H2,23,28,29).
What are the key properties of 4-[[3-(4-methylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide?
4-[[3-(4-methylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide has a molecular weight of 441.51 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-methylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 110572823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).