N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-3-yl)acetamide

C13H13ClFN3O3S — CID 91651387

IUPACN-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(CC(=O)NS(=O)(=O)Cc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C13H13ClFN3O3S/c1-18-5-4-10(16-18)7-13(19)17-22(20,21)8-9-2-3-11(14)12(15)6-9/h2-6H,7-8H2,1H3,(H,17,19)
InChIKeyGPTXRBPKSBPXSE-UHFFFAOYSA-N
MW345.78 g/mol
LogP1.40
Rot. Bonds5

About N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-3-yl)acetamide

N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-3-yl)acetamide (PubChem CID 91651387) has the molecular formula C13H13ClFN3O3S and a molecular weight of 345.78 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-3-yl)acetamide
PubChem CID91651387
Molecular FormulaC13H13ClFN3O3S
Molecular Weight345.78 g/mol
Exact Mass345.04
IUPAC NameN-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(CC(=O)NS(=O)(=O)Cc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C13H13ClFN3O3S/c1-18-5-4-10(16-18)7-13(19)17-22(20,21)8-9-2-3-11(14)12(15)6-9/h2-6H,7-8H2,1H3,(H,17,19)
InChIKeyGPTXRBPKSBPXSE-UHFFFAOYSA-N
XLogP1.40
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-3-yl)acetamide 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

N-[(2-chloro-4-fluorophenyl)methyl]-2-(1-methyl-1H-pyrazol-5-yl)acetamide
CID 25061574
N-[(2-chloro-3,4-difluorophenyl)methyl]-2-(1-methyl-1H-pyrazol-5-yl)acetamide
CID 25061575
n-[(2-Chloro-4-fluorophenyl)methyl]-2-(4-fluoro-1-methyl-1h-pyrazol-5-yl)acetamide
CID 25061837
n-[(2,4-Dichlorophenyl)methyl]-2-(4-fluoro-1-methyl-1h-pyrazol-5-yl)acetamide
CID 25061839
3-[3-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methylsulfonylpropanamide
CID 164609081
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-methylsulfonylacetamide
CID 71449962
3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-methylsulfonylpropanamide
CID 164615516
3-[3,5-bis(4-chlorophenyl)pyrazol-1-yl]-N-methylsulfonylpropanamide
CID 164617611
3-[3-(4-chlorophenyl)-1-cyclohexylpyrazol-4-yl]-N-methylsulfonylpropanamide
CID 164619158
3-[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]-N-methylsulfonylpropanamide
CID 164621194
3-[4-(4-chloro-2-fluorophenyl)-3-methylpyrazol-1-yl]-N-methylpropanamide
CID 176432018
N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 91651388

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-3-yl)acetamide (CID 91651387) is N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-3-yl)acetamide is Cn1ccc(CC(=O)NS(=O)(=O)Cc2ccc(Cl)c(F)c2)n1.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is GPTXRBPKSBPXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O3S/c1-18-5-4-10(16-18)7-13(19)17-22(20,21)8-9-2-3-11(14)12(15)6-9/h2-6H,7-8H2,1H3,(H,17,19).
What are the key properties of N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-3-yl)acetamide?
N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 345.78 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 91651387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).