N-[3-[(4-pyrazol-1-ylphenyl)sulfonylamino]phenyl]acetamide

C17H16N4O3S — CID 45494447

IUPACN-[3-[(4-pyrazol-1-ylphenyl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)c1
InChIInChI=1S/C17H16N4O3S/c1-13(22)19-14-4-2-5-15(12-14)20-25(23,24)17-8-6-16(7-9-17)21-11-3-10-18-21/h2-12,20H,1H3,(H,19,22)
InChIKeyWRBPJGUZDKHVIE-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.63
Rot. Bonds5

About N-[3-[(4-pyrazol-1-ylphenyl)sulfonylamino]phenyl]acetamide

N-[3-[(4-pyrazol-1-ylphenyl)sulfonylamino]phenyl]acetamide (PubChem CID 45494447) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[3-[(4-pyrazol-1-ylphenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-pyrazol-1-ylphenyl)sulfonylamino]phenyl]acetamide
PubChem CID45494447
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-[3-[(4-pyrazol-1-ylphenyl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)c1
InChIInChI=1S/C17H16N4O3S/c1-13(22)19-14-4-2-5-15(12-14)20-25(23,24)17-8-6-16(7-9-17)21-11-3-10-18-21/h2-12,20H,1H3,(H,19,22)
InChIKeyWRBPJGUZDKHVIE-UHFFFAOYSA-N
XLogP2.63
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide
CID 110731419
N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide
CID 3874122
N-[3-(pyridin-3-ylsulfonylamino)phenyl]acetamide
CID 110865862
N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 1026291
4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 110676906
N-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 122301720
3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide
CID 31913171
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]acetamide
CID 4816692
3-[(4-acetylphenyl)sulfonylamino]-N-(3-pyrazol-1-ylphenyl)propanamide
CID 55838147
N-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 17388137
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
N-[4-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]sulfamoyl]phenyl]acetamide
CID 108783814

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-pyrazol-1-ylphenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(4-pyrazol-1-ylphenyl)sulfonylamino]phenyl]acetamide (CID 45494447) is N-[3-[(4-pyrazol-1-ylphenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-pyrazol-1-ylphenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(4-pyrazol-1-ylphenyl)sulfonylamino]phenyl]acetamide is CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)c1.
What is the InChIKey of N-[3-[(4-pyrazol-1-ylphenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is WRBPJGUZDKHVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-13(22)19-14-4-2-5-15(12-14)20-25(23,24)17-8-6-16(7-9-17)21-11-3-10-18-21/h2-12,20H,1H3,(H,19,22).
What are the key properties of N-[3-[(4-pyrazol-1-ylphenyl)sulfonylamino]phenyl]acetamide?
N-[3-[(4-pyrazol-1-ylphenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 356.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-pyrazol-1-ylphenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 45494447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).