N-(4-pyrazol-1-ylsulfonylphenyl)acetamide

C11H11N3O3S — CID 5142381

IUPACN-(4-pyrazol-1-ylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)n2cccn2)cc1
InChIInChI=1S/C11H11N3O3S/c1-9(15)13-10-3-5-11(6-4-10)18(16,17)14-8-2-7-12-14/h2-8H,1H3,(H,13,15)
InChIKeyCLKXZZDDHFNZKW-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.08
Rot. Bonds3

About N-(4-pyrazol-1-ylsulfonylphenyl)acetamide

N-(4-pyrazol-1-ylsulfonylphenyl)acetamide (PubChem CID 5142381) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is N-(4-pyrazol-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-pyrazol-1-ylsulfonylphenyl)acetamide
PubChem CID5142381
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC NameN-(4-pyrazol-1-ylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)n2cccn2)cc1
InChIInChI=1S/C11H11N3O3S/c1-9(15)13-10-3-5-11(6-4-10)18(16,17)14-8-2-7-12-14/h2-8H,1H3,(H,13,15)
InChIKeyCLKXZZDDHFNZKW-UHFFFAOYSA-N
XLogP1.08
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyrazol-1-ylsulfonylphenyl)acetamide?
The IUPAC name of N-(4-pyrazol-1-ylsulfonylphenyl)acetamide (CID 5142381) is N-(4-pyrazol-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(4-pyrazol-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-(4-pyrazol-1-ylsulfonylphenyl)acetamide is CC(=O)Nc1ccc(S(=O)(=O)n2cccn2)cc1.
What is the InChIKey of N-(4-pyrazol-1-ylsulfonylphenyl)acetamide?
The InChIKey is CLKXZZDDHFNZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-9(15)13-10-3-5-11(6-4-10)18(16,17)14-8-2-7-12-14/h2-8H,1H3,(H,13,15).
What are the key properties of N-(4-pyrazol-1-ylsulfonylphenyl)acetamide?
N-(4-pyrazol-1-ylsulfonylphenyl)acetamide has a molecular weight of 265.29 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrazol-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 5142381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).