N-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-sulfonamide

C13H16N4O2S — CID 102692559

IUPACN-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1N1CCCC1)c1ccn[nH]1
InChIInChI=1S/C13H16N4O2S/c18-20(19,13-7-8-14-15-13)16-11-5-1-2-6-12(11)17-9-3-4-10-17/h1-2,5-8,16H,3-4,9-10H2,(H,14,15)
InChIKeyWKWGNKYOVSFFIK-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.81
Rot. Bonds4

About N-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-sulfonamide

N-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102692559) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-sulfonamide
PubChem CID102692559
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1N1CCCC1)c1ccn[nH]1
InChIInChI=1S/C13H16N4O2S/c18-20(19,13-7-8-14-15-13)16-11-5-1-2-6-12(11)17-9-3-4-10-17/h1-2,5-8,16H,3-4,9-10H2,(H,14,15)
InChIKeyWKWGNKYOVSFFIK-UHFFFAOYSA-N
XLogP1.81
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-sulfonamide (CID 102692559) is N-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-sulfonamide is O=S(=O)(Nc1ccccc1N1CCCC1)c1ccn[nH]1.
What is the InChIKey of N-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is WKWGNKYOVSFFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c18-20(19,13-7-8-14-15-13)16-11-5-1-2-6-12(11)17-9-3-4-10-17/h1-2,5-8,16H,3-4,9-10H2,(H,14,15).
What are the key properties of N-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-sulfonamide?
N-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).