N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(methylsulfamoyl)acetamide

C13H16ClFN2O3S — CID 71974935

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(methylsulfamoyl)acetamide
SMILESCNS(=O)(=O)CC(=O)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C13H16ClFN2O3S/c1-16-21(19,20)8-13(18)17(9-5-6-9)7-10-11(14)3-2-4-12(10)15/h2-4,9,16H,5-8H2,1H3
InChIKeyANFPFOPSLMZGSE-UHFFFAOYSA-N
MW334.80 g/mol
LogP1.52
Rot. Bonds6

About N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(methylsulfamoyl)acetamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(methylsulfamoyl)acetamide (PubChem CID 71974935) has the molecular formula C13H16ClFN2O3S and a molecular weight of 334.80 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(methylsulfamoyl)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(methylsulfamoyl)acetamide
PubChem CID71974935
Molecular FormulaC13H16ClFN2O3S
Molecular Weight334.80 g/mol
Exact Mass334.06
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(methylsulfamoyl)acetamide
SMILESCNS(=O)(=O)CC(=O)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C13H16ClFN2O3S/c1-16-21(19,20)8-13(18)17(9-5-6-9)7-10-11(14)3-2-4-12(10)15/h2-4,9,16H,5-8H2,1H3
InChIKeyANFPFOPSLMZGSE-UHFFFAOYSA-N
XLogP1.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(methylsulfamoyl)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-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(methylsulfamoyl)acetamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(methylsulfamoyl)acetamide (CID 71974935) is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(methylsulfamoyl)acetamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(methylsulfamoyl)acetamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(methylsulfamoyl)acetamide is CNS(=O)(=O)CC(=O)N(Cc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(methylsulfamoyl)acetamide?
The InChIKey is ANFPFOPSLMZGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O3S/c1-16-21(19,20)8-13(18)17(9-5-6-9)7-10-11(14)3-2-4-12(10)15/h2-4,9,16H,5-8H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(methylsulfamoyl)acetamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(methylsulfamoyl)acetamide has a molecular weight of 334.80 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(methylsulfamoyl)acetamide is sourced from PubChem (CID 71974935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).