4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide

C19H23N3O4S — CID 110415642

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
SMILESCc1cc(CCNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c(C)n1C
InChIInChI=1S/C19H23N3O4S/c1-13-12-15(14(2)21(13)3)10-11-20-27(25,26)17-6-4-16(5-7-17)22-18(23)8-9-19(22)24/h4-7,12,20H,8-11H2,1-3H3
InChIKeyNAAGGCPISXYVET-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.82
Rot. Bonds6

About 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide

4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide (PubChem CID 110415642) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
PubChem CID110415642
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
SMILESCc1cc(CCNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c(C)n1C
InChIInChI=1S/C19H23N3O4S/c1-13-12-15(14(2)21(13)3)10-11-20-27(25,26)17-6-4-16(5-7-17)22-18(23)8-9-19(22)24/h4-7,12,20H,8-11H2,1-3H3
InChIKeyNAAGGCPISXYVET-UHFFFAOYSA-N
XLogP1.82
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.82
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-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 22695567
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 22695565
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-methylphenyl)propyl]benzenesulfonamide
CID 100539839
2,4,6-trimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110641451
N-[2-(N,4-dimethylanilino)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 100540805
5-bromo-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide
CID 110415650
N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propane-1-sulfonamide
CID 110641438
N-[(2-chlorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 22695558
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122308771
N-[2-(1,3-dioxan-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 110398487
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110642085
3,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110415649

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide (CID 110415642) is 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide is Cc1cc(CCNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c(C)n1C.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is NAAGGCPISXYVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13-12-15(14(2)21(13)3)10-11-20-27(25,26)17-6-4-16(5-7-17)22-18(23)8-9-19(22)24/h4-7,12,20H,8-11H2,1-3H3.
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 389.48 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110415642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).