N-tert-butyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide

C14H18N2O4S — CID 873017

IUPACN-tert-butyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H18N2O4S/c1-14(2,3)15-21(19,20)11-6-4-10(5-7-11)16-12(17)8-9-13(16)18/h4-7,15H,8-9H2,1-3H3
InChIKeyODNRIJQFFUCBTI-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.42
Rot. Bonds3

About N-tert-butyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide

N-tert-butyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 873017) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-tert-butyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID873017
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC NameN-tert-butyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H18N2O4S/c1-14(2,3)15-21(19,20)11-6-4-10(5-7-11)16-12(17)8-9-13(16)18/h4-7,15H,8-9H2,1-3H3
InChIKeyODNRIJQFFUCBTI-UHFFFAOYSA-N
XLogP1.42
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 42347010
4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide
CID 867577
1-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrolidine-2,5-dione
CID 917152
N-[[4-(dimethylamino)phenyl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 100541305
[ditert-butyl-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-λ4-sulfanyl] thiohypofluorite
CID 155745317
N-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 146022850
N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 22695550
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 122252851
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
N-[(2-chlorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 22695558
4-(2,5-dioxopyrrolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 100540260
N-(2-acetylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 43853531

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-tert-butyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide (CID 873017) is N-tert-butyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-tert-butyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of N-tert-butyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is ODNRIJQFFUCBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-14(2,3)15-21(19,20)11-6-4-10(5-7-11)16-12(17)8-9-13(16)18/h4-7,15H,8-9H2,1-3H3.
What are the key properties of N-tert-butyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
N-tert-butyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 873017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).