2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

C14H21FN4O3S — CID 973770

IUPAC2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCN(C)S(=O)(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C14H21FN4O3S/c1-17(2)23(21,22)19-9-7-18(8-10-19)11-14(20)16-13-5-3-12(15)4-6-13/h3-6H,7-11H2,1-2H3,(H,16,20)
InChIKeyHKGFZKPCHUIVSK-UHFFFAOYSA-N
MW344.41 g/mol
LogP0.19
Rot. Bonds5

About 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 973770) has the molecular formula C14H21FN4O3S and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID973770
Molecular FormulaC14H21FN4O3S
Molecular Weight344.41 g/mol
Exact Mass344.13
IUPAC Name2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCN(C)S(=O)(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C14H21FN4O3S/c1-17(2)23(21,22)19-9-7-18(8-10-19)11-14(20)16-13-5-3-12(15)4-6-13/h3-6H,7-11H2,1-2H3,(H,16,20)
InChIKeyHKGFZKPCHUIVSK-UHFFFAOYSA-N
XLogP0.19
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 973770) is 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is CN(C)S(=O)(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is HKGFZKPCHUIVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O3S/c1-17(2)23(21,22)19-9-7-18(8-10-19)11-14(20)16-13-5-3-12(15)4-6-13/h3-6H,7-11H2,1-2H3,(H,16,20).
What are the key properties of 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 344.41 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 973770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).