1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide

C13H13BrN4O3S — CID 168718446

IUPAC1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2[nH]ncc2-c2ccccc2Br)C1
InChIInChI=1S/C13H13BrN4O3S/c14-11-4-2-1-3-9(11)10-6-16-17-13(10)18-7-8(5-12(18)19)22(15,20)21/h1-4,6,8H,5,7H2,(H,16,17)(H2,15,20,21)
InChIKeyNRXRIHSMBQNNDW-UHFFFAOYSA-N
MW385.24 g/mol
LogP1.23
Rot. Bonds3

About 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide

1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168718446) has the molecular formula C13H13BrN4O3S and a molecular weight of 385.24 g/mol. Its IUPAC name is 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168718446
Molecular FormulaC13H13BrN4O3S
Molecular Weight385.24 g/mol
Exact Mass383.99
IUPAC Name1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2[nH]ncc2-c2ccccc2Br)C1
InChIInChI=1S/C13H13BrN4O3S/c14-11-4-2-1-3-9(11)10-6-16-17-13(10)18-7-8(5-12(18)19)22(15,20)21/h1-4,6,8H,5,7H2,(H,16,17)(H2,15,20,21)
InChIKeyNRXRIHSMBQNNDW-UHFFFAOYSA-N
XLogP1.23
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide 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

1-(2-bromo-6-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718558
1-(5-bromo-2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718689
5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide
CID 168719616
1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718706
4-chloro-1-(4-phenyl-1H-pyrazol-5-yl)pyrrolidin-2-one
CID 168688854
1-(3-amino-6-bromopyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719062
1-(5-bromo-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719055
5-oxo-1-pyridin-4-ylpyrrolidine-3-sulfonamide
CID 168719467
1-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718667
1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718709
3-bromo-6-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 168718856
5-oxo-1-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-sulfonamide
CID 168719208

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide (CID 168718446) is 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2[nH]ncc2-c2ccccc2Br)C1.
What is the InChIKey of 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is NRXRIHSMBQNNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O3S/c14-11-4-2-1-3-9(11)10-6-16-17-13(10)18-7-8(5-12(18)19)22(15,20)21/h1-4,6,8H,5,7H2,(H,16,17)(H2,15,20,21).
What are the key properties of 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide?
1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 385.24 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).