4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-methylphenyl)propyl]benzenesulfonamide

C20H22N2O4S — CID 100539839

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-methylphenyl)propyl]benzenesulfonamide
SMILESCc1ccc(CCCNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1
InChIInChI=1S/C20H22N2O4S/c1-15-4-6-16(7-5-15)3-2-14-21-27(25,26)18-10-8-17(9-11-18)22-19(23)12-13-20(22)24/h4-11,21H,2-3,12-14H2,1H3
InChIKeyJJYQIUUAAWCXQE-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.56
Rot. Bonds7

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

4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-methylphenyl)propyl]benzenesulfonamide (PubChem CID 100539839) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-methylphenyl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-methylphenyl)propyl]benzenesulfonamide
PubChem CID100539839
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-methylphenyl)propyl]benzenesulfonamide
SMILESCc1ccc(CCCNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1
InChIInChI=1S/C20H22N2O4S/c1-15-4-6-16(7-5-15)3-2-14-21-27(25,26)18-10-8-17(9-11-18)22-19(23)12-13-20(22)24/h4-11,21H,2-3,12-14H2,1H3
InChIKeyJJYQIUUAAWCXQE-UHFFFAOYSA-N
XLogP2.56
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 22695565
N-[2-(N,4-dimethylanilino)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 100540805
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110415642
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(N-methylanilino)propyl]benzenesulfonamide
CID 100540791
4-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzenesulfonamide
CID 16891081
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
N-[[4-(dimethylamino)phenyl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 100541305
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(N-ethylanilino)propyl]benzenesulfonamide
CID 100540888
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 22695567
4-ethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16890979
4-bromo-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]benzenesulfonamide
CID 16890912
4-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(furan-3-yl)phenyl]methyl]benzenesulfonamide
CID 126855012

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-methylphenyl)propyl]benzenesulfonamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-methylphenyl)propyl]benzenesulfonamide (CID 100539839) is 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-methylphenyl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-methylphenyl)propyl]benzenesulfonamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-methylphenyl)propyl]benzenesulfonamide is Cc1ccc(CCCNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-methylphenyl)propyl]benzenesulfonamide?
The InChIKey is JJYQIUUAAWCXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-15-4-6-16(7-5-15)3-2-14-21-27(25,26)18-10-8-17(9-11-18)22-19(23)12-13-20(22)24/h4-11,21H,2-3,12-14H2,1H3.
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-methylphenyl)propyl]benzenesulfonamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-methylphenyl)propyl]benzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-methylphenyl)propyl]benzenesulfonamide is sourced from PubChem (CID 100539839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).