N-[2-(4-chlorophenyl)sulfonylethyl]-2-pyrazol-1-ylacetamide

C13H14ClN3O3S — CID 51091918

IUPACN-[2-(4-chlorophenyl)sulfonylethyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NCCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3O3S/c14-11-2-4-12(5-3-11)21(19,20)9-7-15-13(18)10-17-8-1-6-16-17/h1-6,8H,7,9-10H2,(H,15,18)
InChIKeyWLWHRXDUFIRNIS-UHFFFAOYSA-N
MW327.79 g/mol
LogP1.13
Rot. Bonds6

About N-[2-(4-chlorophenyl)sulfonylethyl]-2-pyrazol-1-ylacetamide

N-[2-(4-chlorophenyl)sulfonylethyl]-2-pyrazol-1-ylacetamide (PubChem CID 51091918) has the molecular formula C13H14ClN3O3S and a molecular weight of 327.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfonylethyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfonylethyl]-2-pyrazol-1-ylacetamide
PubChem CID51091918
Molecular FormulaC13H14ClN3O3S
Molecular Weight327.79 g/mol
Exact Mass327.04
IUPAC NameN-[2-(4-chlorophenyl)sulfonylethyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NCCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3O3S/c14-11-2-4-12(5-3-11)21(19,20)9-7-15-13(18)10-17-8-1-6-16-17/h1-6,8H,7,9-10H2,(H,15,18)
InChIKeyWLWHRXDUFIRNIS-UHFFFAOYSA-N
XLogP1.13
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-chlorophenyl)sulfonylethyl]-2-pyrazol-1-ylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-pyrazol-1-yl-N-(2-sulfamoylethyl)acetamide
CID 61066533
3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride
CID 119290585
N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 2765509
2-(4-chlorophenyl)sulfonylethylcarbamic acid
CID 54308728
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide
CID 119290606
N-[2-(4-chlorophenyl)sulfonylethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 51092425
2-pyrazol-1-yl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
CID 60976790
N-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide
CID 39724151
N-[2-(4-chlorophenyl)sulfonylethyl]azetidine-1-carboxamide
CID 132968648
4-chloro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 22207459
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride
CID 120560399
2-(4-chlorophenyl)sulfonyl-N-propylacetamide
CID 24654499

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfonylethyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfonylethyl]-2-pyrazol-1-ylacetamide (CID 51091918) is N-[2-(4-chlorophenyl)sulfonylethyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfonylethyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfonylethyl]-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)NCCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfonylethyl]-2-pyrazol-1-ylacetamide?
The InChIKey is WLWHRXDUFIRNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3S/c14-11-2-4-12(5-3-11)21(19,20)9-7-15-13(18)10-17-8-1-6-16-17/h1-6,8H,7,9-10H2,(H,15,18).
What are the key properties of N-[2-(4-chlorophenyl)sulfonylethyl]-2-pyrazol-1-ylacetamide?
N-[2-(4-chlorophenyl)sulfonylethyl]-2-pyrazol-1-ylacetamide has a molecular weight of 327.79 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfonylethyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 51091918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).