2-[dimethylsulfamoyl(methyl)amino]-N-(4-fluorophenyl)acetamide

C11H16FN3O3S — CID 35329297

IUPAC2-[dimethylsulfamoyl(methyl)amino]-N-(4-fluorophenyl)acetamide
SMILESCN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H16FN3O3S/c1-14(2)19(17,18)15(3)8-11(16)13-10-6-4-9(12)5-7-10/h4-7H,8H2,1-3H3,(H,13,16)
InChIKeyHOBZEXUZSWNPCX-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.50
Rot. Bonds5

About 2-[dimethylsulfamoyl(methyl)amino]-N-(4-fluorophenyl)acetamide

2-[dimethylsulfamoyl(methyl)amino]-N-(4-fluorophenyl)acetamide (PubChem CID 35329297) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[dimethylsulfamoyl(methyl)amino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[dimethylsulfamoyl(methyl)amino]-N-(4-fluorophenyl)acetamide
PubChem CID35329297
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name2-[dimethylsulfamoyl(methyl)amino]-N-(4-fluorophenyl)acetamide
SMILESCN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H16FN3O3S/c1-14(2)19(17,18)15(3)8-11(16)13-10-6-4-9(12)5-7-10/h4-7H,8H2,1-3H3,(H,13,16)
InChIKeyHOBZEXUZSWNPCX-UHFFFAOYSA-N
XLogP0.50
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[dimethylsulfamoyl(methyl)amino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[dimethylsulfamoyl(methyl)amino]-N-(4-fluorophenyl)acetamide (CID 35329297) is 2-[dimethylsulfamoyl(methyl)amino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[dimethylsulfamoyl(methyl)amino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[dimethylsulfamoyl(methyl)amino]-N-(4-fluorophenyl)acetamide is CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[dimethylsulfamoyl(methyl)amino]-N-(4-fluorophenyl)acetamide?
The InChIKey is HOBZEXUZSWNPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-14(2)19(17,18)15(3)8-11(16)13-10-6-4-9(12)5-7-10/h4-7H,8H2,1-3H3,(H,13,16).
What are the key properties of 2-[dimethylsulfamoyl(methyl)amino]-N-(4-fluorophenyl)acetamide?
2-[dimethylsulfamoyl(methyl)amino]-N-(4-fluorophenyl)acetamide has a molecular weight of 289.33 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethylsulfamoyl(methyl)amino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 35329297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).