5-oxo-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidine-3-sulfonamide

C11H12N4O3S2 — CID 168719209

IUPAC5-oxo-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2cc(-c3cccs3)[nH]n2)C1
InChIInChI=1S/C11H12N4O3S2/c12-20(17,18)7-4-11(16)15(6-7)10-5-8(13-14-10)9-2-1-3-19-9/h1-3,5,7H,4,6H2,(H,13,14)(H2,12,17,18)
InChIKeySSUOHCSHPIXONB-UHFFFAOYSA-N
MW312.38 g/mol
LogP0.53
Rot. Bonds3

About 5-oxo-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidine-3-sulfonamide

5-oxo-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidine-3-sulfonamide (PubChem CID 168719209) has the molecular formula C11H12N4O3S2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 5-oxo-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name5-oxo-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidine-3-sulfonamide
PubChem CID168719209
Molecular FormulaC11H12N4O3S2
Molecular Weight312.38 g/mol
Exact Mass312.04
IUPAC Name5-oxo-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2cc(-c3cccs3)[nH]n2)C1
InChIInChI=1S/C11H12N4O3S2/c12-20(17,18)7-4-11(16)15(6-7)10-5-8(13-14-10)9-2-1-3-19-9/h1-3,5,7H,4,6H2,(H,13,14)(H2,12,17,18)
InChIKeySSUOHCSHPIXONB-UHFFFAOYSA-N
XLogP0.53
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

S-[5-oxo-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl] ethanethioate
CID 168707045
5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide
CID 168719616
1-(6-cyano-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719366
5-oxo-1-pyridin-4-ylpyrrolidine-3-sulfonamide
CID 168719467
5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-sulfonamide
CID 168719509
6-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 168719374
5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonamide
CID 168719368
1-(6-chloro-2-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717981
5-oxo-1-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-sulfonamide
CID 168719208
1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717979
1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719537
1-(5-iodo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717618

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidine-3-sulfonamide?
The IUPAC name of 5-oxo-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidine-3-sulfonamide (CID 168719209) is 5-oxo-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for 5-oxo-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidine-3-sulfonamide?
The canonical SMILES for 5-oxo-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2cc(-c3cccs3)[nH]n2)C1.
What is the InChIKey of 5-oxo-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidine-3-sulfonamide?
The InChIKey is SSUOHCSHPIXONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S2/c12-20(17,18)7-4-11(16)15(6-7)10-5-8(13-14-10)9-2-1-3-19-9/h1-3,5,7H,4,6H2,(H,13,14)(H2,12,17,18).
What are the key properties of 5-oxo-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidine-3-sulfonamide?
5-oxo-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidine-3-sulfonamide has a molecular weight of 312.38 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 168719209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).