4-[(3S)-3-butyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide

C14H18N2O4S — CID 98105119

IUPAC4-[(3S)-3-butyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
SMILESCCCC[C@H]1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C14H18N2O4S/c1-2-3-4-10-9-13(17)16(14(10)18)11-5-7-12(8-6-11)21(15,19)20/h5-8,10H,2-4,9H2,1H3,(H2,15,19,20)/t10-/m0/s1
InChIKeyQYSUYYHFLZNFMK-JTQLQIEISA-N
MW310.38 g/mol
LogP1.40
Rot. Bonds5

About 4-[(3S)-3-butyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide

4-[(3S)-3-butyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide (PubChem CID 98105119) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-[(3S)-3-butyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(3S)-3-butyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
PubChem CID98105119
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name4-[(3S)-3-butyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
SMILESCCCC[C@H]1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C14H18N2O4S/c1-2-3-4-10-9-13(17)16(14(10)18)11-5-7-12(8-6-11)21(15,19)20/h5-8,10H,2-4,9H2,1H3,(H2,15,19,20)/t10-/m0/s1
InChIKeyQYSUYYHFLZNFMK-JTQLQIEISA-N
XLogP1.40
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.40
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

1-(4-methoxyphenyl)-3-pentylpyrrolidine-2,5-dione
CID 141142430
4-[2-[[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CID 2869088
N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]butanamide
CID 25045748
4-[3-[(4-fluorophenyl)sulfonyl-(2-methylbutan-2-yl)amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 25044948
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-methylbutan-2-yl)cyclohexanecarboxamide
CID 25048852
3-butyl-1-hydroxypyrrolidine-2,5-dione
CID 59622423
N-[1-(4-hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 3121054
N-tert-butyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 25045753
[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium
CID 6968722
[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium
CID 6968725
4-[[[(3R)-1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide
CID 1418366
4-[3-[tert-butyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 25049106

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-butyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[(3S)-3-butyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide (CID 98105119) is 4-[(3S)-3-butyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[(3S)-3-butyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[(3S)-3-butyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide is CCCC[C@H]1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O.
What is the InChIKey of 4-[(3S)-3-butyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide?
The InChIKey is QYSUYYHFLZNFMK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-2-3-4-10-9-13(17)16(14(10)18)11-5-7-12(8-6-11)21(15,19)20/h5-8,10H,2-4,9H2,1H3,(H2,15,19,20)/t10-/m0/s1.
What are the key properties of 4-[(3S)-3-butyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide?
4-[(3S)-3-butyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-butyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 98105119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).