3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide

C20H16N4O2S — CID 166490570

IUPAC3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(-c3cn[nH]c3-c3ccncc3)cc2)c1
InChIInChI=1S/C20H16N4O2S/c21-27(25,26)18-3-1-2-17(12-18)14-4-6-15(7-5-14)19-13-23-24-20(19)16-8-10-22-11-9-16/h1-13H,(H,23,24)(H2,21,25,26)
InChIKeyWEYZMTHVWCJUGC-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.45
Rot. Bonds4

About 3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide

3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 166490570) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
PubChem CID166490570
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(-c3cn[nH]c3-c3ccncc3)cc2)c1
InChIInChI=1S/C20H16N4O2S/c21-27(25,26)18-3-1-2-17(12-18)14-4-6-15(7-5-14)19-13-23-24-20(19)16-8-10-22-11-9-16/h1-13H,(H,23,24)(H2,21,25,26)
InChIKeyWEYZMTHVWCJUGC-UHFFFAOYSA-N
XLogP3.45
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide
CID 19355817
4-methyl-3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490711
4-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 19355772
2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 150527692
2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 151220334
4-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037377
4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037203
4-[5-(4-sulfamoylphenyl)-1H-pyrazol-4-yl]benzoic acid
CID 19355278
4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine
CID 160851614
3-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyridine
CID 3321413
ethane;4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 143047131
N-[4-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 67184113

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide (CID 166490570) is 3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide is NS(=O)(=O)c1cccc(-c2ccc(-c3cn[nH]c3-c3ccncc3)cc2)c1.
What is the InChIKey of 3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is WEYZMTHVWCJUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c21-27(25,26)18-3-1-2-17(12-18)14-4-6-15(7-5-14)19-13-23-24-20(19)16-8-10-22-11-9-16/h1-13H,(H,23,24)(H2,21,25,26).
What are the key properties of 3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 376.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 166490570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).