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

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Related Compounds

N-[2-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692481
N-(2-fluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691575
N-(2-ethylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691585
4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2435475
1-(2-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine
CID 102691816
4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2814037
4-[(2-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 51263382
N-(2-piperidin-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
CID 86801011
5-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole
CID 138542816
N-methyl-4-[(2-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 17496437
4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 8823611
2-fluoro-5-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 60533118

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).