4-acetyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide

C17H15N3O3S — CID 110731419

IUPAC4-acetyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cccc(-n3cccn3)c2)cc1
InChIInChI=1S/C17H15N3O3S/c1-13(21)14-6-8-17(9-7-14)24(22,23)19-15-4-2-5-16(12-15)20-11-3-10-18-20/h2-12,19H,1H3
InChIKeyOFTMYDMJYAAZHP-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.88
Rot. Bonds5

About 4-acetyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide

4-acetyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide (PubChem CID 110731419) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-acetyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide
PubChem CID110731419
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name4-acetyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cccc(-n3cccn3)c2)cc1
InChIInChI=1S/C17H15N3O3S/c1-13(21)14-6-8-17(9-7-14)24(22,23)19-15-4-2-5-16(12-15)20-11-3-10-18-20/h2-12,19H,1H3
InChIKeyOFTMYDMJYAAZHP-UHFFFAOYSA-N
XLogP2.88
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-acetylphenyl)sulfonylamino]-N-(3-pyrazol-1-ylphenyl)propanamide
CID 55838147
N-[3-[(4-pyrazol-1-ylphenyl)sulfonylamino]phenyl]acetamide
CID 45494447
4-acetyl-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]benzenesulfonamide
CID 99788218
4-acetyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122310235
4-acetyl-N-pyridin-3-ylbenzenesulfonamide
CID 22750329
4-acetyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304897
2-chloro-4-methyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide
CID 47034188
N-(4-bromo-3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914800
4-[(3-pyrazol-1-ylphenyl)sulfamoyl]butanoic acid
CID 43699767
4-acetyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
CID 40664221
4-acetyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide
CID 7151307
2-methyl-5-nitro-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide
CID 55700067

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide (CID 110731419) is 4-acetyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2cccc(-n3cccn3)c2)cc1.
What is the InChIKey of 4-acetyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide?
The InChIKey is OFTMYDMJYAAZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-13(21)14-6-8-17(9-7-14)24(22,23)19-15-4-2-5-16(12-15)20-11-3-10-18-20/h2-12,19H,1H3.
What are the key properties of 4-acetyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide?
4-acetyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide has a molecular weight of 341.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 110731419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).