N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide

C12H16ClFN2O3S — CID 71974921

IUPACN-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide
SMILESCNS(=O)(=O)CC(=O)NC(C)(C)c1ccc(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O3S/c1-12(2,9-5-4-8(14)6-10(9)13)16-11(17)7-20(18,19)15-3/h4-6,15H,7H2,1-3H3,(H,16,17)
InChIKeyWXBRAFOMVYIUHL-UHFFFAOYSA-N
MW322.79 g/mol
LogP1.38
Rot. Bonds5

About N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide

N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide (PubChem CID 71974921) has the molecular formula C12H16ClFN2O3S and a molecular weight of 322.79 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide
PubChem CID71974921
Molecular FormulaC12H16ClFN2O3S
Molecular Weight322.79 g/mol
Exact Mass322.06
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide
SMILESCNS(=O)(=O)CC(=O)NC(C)(C)c1ccc(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O3S/c1-12(2,9-5-4-8(14)6-10(9)13)16-11(17)7-20(18,19)15-3/h4-6,15H,7H2,1-3H3,(H,16,17)
InChIKeyWXBRAFOMVYIUHL-UHFFFAOYSA-N
XLogP1.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide?
The IUPAC name of N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide (CID 71974921) is N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide is CNS(=O)(=O)CC(=O)NC(C)(C)c1ccc(F)cc1Cl.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide?
The InChIKey is WXBRAFOMVYIUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O3S/c1-12(2,9-5-4-8(14)6-10(9)13)16-11(17)7-20(18,19)15-3/h4-6,15H,7H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide?
N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide has a molecular weight of 322.79 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide is sourced from PubChem (CID 71974921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).