N-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]acetamide

C13H15N3O3S — CID 659817

IUPACN-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C13H15N3O3S/c1-9-8-10(2)16(15-9)20(18,19)13-6-4-12(5-7-13)14-11(3)17/h4-8H,1-3H3,(H,14,17)
InChIKeySYXSPOPXVIHEFL-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.70
Rot. Bonds3

About N-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]acetamide

N-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]acetamide (PubChem CID 659817) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]acetamide
PubChem CID659817
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C13H15N3O3S/c1-9-8-10(2)16(15-9)20(18,19)13-6-4-12(5-7-13)14-11(3)17/h4-8H,1-3H3,(H,14,17)
InChIKeySYXSPOPXVIHEFL-UHFFFAOYSA-N
XLogP1.70
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]acetamide (CID 659817) is N-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1.
What is the InChIKey of N-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]acetamide?
The InChIKey is SYXSPOPXVIHEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-9-8-10(2)16(15-9)20(18,19)13-6-4-12(5-7-13)14-11(3)17/h4-8H,1-3H3,(H,14,17).
What are the key properties of N-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]acetamide?
N-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]acetamide has a molecular weight of 293.35 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 659817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).