N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide

C21H25N3O6S2 — CID 43853583

IUPACN-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)c(C)c2)cc1
InChIInChI=1S/C21H25N3O6S2/c1-4-23(5-2)32(29,30)17-8-6-16(7-9-17)22-31(27,28)18-10-11-19(15(3)14-18)24-20(25)12-13-21(24)26/h6-11,14,22H,4-5,12-13H2,1-3H3
InChIKeyUAROXYFWPHJRLO-UHFFFAOYSA-N
MW479.58 g/mol
LogP2.48
Rot. Bonds8

About N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide

N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide (PubChem CID 43853583) has the molecular formula C21H25N3O6S2 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide
PubChem CID43853583
Molecular FormulaC21H25N3O6S2
Molecular Weight479.58 g/mol
Exact Mass479.12
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)c(C)c2)cc1
InChIInChI=1S/C21H25N3O6S2/c1-4-23(5-2)32(29,30)17-8-6-16(7-9-17)22-31(27,28)18-10-11-19(15(3)14-18)24-20(25)12-13-21(24)26/h6-11,14,22H,4-5,12-13H2,1-3H3
InChIKeyUAROXYFWPHJRLO-UHFFFAOYSA-N
XLogP2.48
TPSA120.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide 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

N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 2696950
N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100694437
N-(3,4-dimethoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide
CID 43853558
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100528166
N-[4-(diethylsulfamoyl)phenyl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100719054
3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide
CID 4967372
5-chloro-N-[4-(diethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 55730964
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99954159
1-acetyl-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydroindole-5-sulfonamide
CID 24580955
4-chloro-N-[4-(diethylsulfamoyl)phenyl]-3-nitrobenzenesulfonamide
CID 26967231
N-[4-(diethylsulfamoyl)phenyl]-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 100736426
4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 43853538

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide (CID 43853583) is N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)c(C)c2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide?
The InChIKey is UAROXYFWPHJRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6S2/c1-4-23(5-2)32(29,30)17-8-6-16(7-9-17)22-31(27,28)18-10-11-19(15(3)14-18)24-20(25)12-13-21(24)26/h6-11,14,22H,4-5,12-13H2,1-3H3.
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide?
N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide has a molecular weight of 479.58 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 43853583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).