4-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-5-yl)benzenesulfonamide

C13H12N4O4S — CID 110868050

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccn[nH]2)cc1
InChIInChI=1S/C13H12N4O4S/c18-12-5-6-13(19)17(12)9-1-3-10(4-2-9)22(20,21)16-11-7-8-14-15-11/h1-4,7-8H,5-6H2,(H2,14,15,16)
InChIKeyQBRZOQSVTBDAMN-UHFFFAOYSA-N
MW320.33 g/mol
LogP0.86
Rot. Bonds4

About 4-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-5-yl)benzenesulfonamide

4-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 110868050) has the molecular formula C13H12N4O4S and a molecular weight of 320.33 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID110868050
Molecular FormulaC13H12N4O4S
Molecular Weight320.33 g/mol
Exact Mass320.06
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccn[nH]2)cc1
InChIInChI=1S/C13H12N4O4S/c18-12-5-6-13(19)17(12)9-1-3-10(4-2-9)22(20,21)16-11-7-8-14-15-11/h1-4,7-8H,5-6H2,(H2,14,15,16)
InChIKeyQBRZOQSVTBDAMN-UHFFFAOYSA-N
XLogP0.86
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 50.86
H-Bond Donors ≤ 52
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-phenylbenzenesulfonamide
CID 867577
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylphenyl)benzenesulfonamide
CID 100540065
N-tert-butyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 873017
N-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 146022850
N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 22695550
3-methyl-2-oxo-N-(1H-pyrazol-5-yl)-1,3-benzoxazole-6-sulfonamide
CID 61394264
4-(2-methylpropoxy)-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394117
3,4-dimethoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394362
1-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrolidine-2,5-dione
CID 917152
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yloxyphenyl)benzenesulfonamide
CID 146022793
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302540
N-(2-acetylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 43853531

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-5-yl)benzenesulfonamide (CID 110868050) is 4-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-5-yl)benzenesulfonamide is O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccn[nH]2)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is QBRZOQSVTBDAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4S/c18-12-5-6-13(19)17(12)9-1-3-10(4-2-9)22(20,21)16-11-7-8-14-15-11/h1-4,7-8H,5-6H2,(H2,14,15,16).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-5-yl)benzenesulfonamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 320.33 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 110868050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).