N-[4-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide

C22H19N5O3S — CID 67184113

IUPACN-[4-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3[nH]ncc3-c3ccncc3)c2)cc1
InChIInChI=1S/C22H19N5O3S/c1-15(28)25-18-5-7-20(8-6-18)31(29,30)27-19-4-2-3-17(13-19)22-21(14-24-26-22)16-9-11-23-12-10-16/h2-14,27H,1H3,(H,24,26)(H,25,28)
InChIKeyMYKUXIXVWNWDSD-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.90
Rot. Bonds6

About N-[4-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 67184113) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[4-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide
PubChem CID67184113
Molecular FormulaC22H19N5O3S
Molecular Weight433.49 g/mol
Exact Mass433.12
IUPAC NameN-[4-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3[nH]ncc3-c3ccncc3)c2)cc1
InChIInChI=1S/C22H19N5O3S/c1-15(28)25-18-5-7-20(8-6-18)31(29,30)27-19-4-2-3-17(13-19)22-21(14-24-26-22)16-9-11-23-12-10-16/h2-14,27H,1H3,(H,24,26)(H,25,28)
InChIKeyMYKUXIXVWNWDSD-UHFFFAOYSA-N
XLogP3.90
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
CID 67185993
1-(4-tert-butylphenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
CID 44621736
N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1,3-benzothiazole-6-sulfonamide
CID 58302800
N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 67188011
N-[4-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 82252971
N-(4-chlorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide
CID 44622677
4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide
CID 169371905
N-[3-(pyridin-3-ylsulfonylamino)phenyl]acetamide
CID 110865862
N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 1026291
N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide
CID 3874122
N-[3-[(4-pyrazol-1-ylphenyl)sulfonylamino]phenyl]acetamide
CID 45494447
N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 67184873

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide (CID 67184113) is N-[4-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3[nH]ncc3-c3ccncc3)c2)cc1.
What is the InChIKey of N-[4-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is MYKUXIXVWNWDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c1-15(28)25-18-5-7-20(8-6-18)31(29,30)27-19-4-2-3-17(13-19)22-21(14-24-26-22)16-9-11-23-12-10-16/h2-14,27H,1H3,(H,24,26)(H,25,28).
What are the key properties of N-[4-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 433.49 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 67184113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).