N-[4-(diethylsulfamoyl)phenyl]-2,2,2-trifluoroacetamide

C12H15F3N2O3S — CID 738981

IUPACN-[4-(diethylsulfamoyl)phenyl]-2,2,2-trifluoroacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O3S/c1-3-17(4-2)21(19,20)10-7-5-9(6-8-10)16-11(18)12(13,14)15/h5-8H,3-4H2,1-2H3,(H,16,18)
InChIKeyUTRLGWRULBAZCC-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.22
Rot. Bonds5

About N-[4-(diethylsulfamoyl)phenyl]-2,2,2-trifluoroacetamide

N-[4-(diethylsulfamoyl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 738981) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID738981
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2,2,2-trifluoroacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O3S/c1-3-17(4-2)21(19,20)10-7-5-9(6-8-10)16-11(18)12(13,14)15/h5-8H,3-4H2,1-2H3,(H,16,18)
InChIKeyUTRLGWRULBAZCC-UHFFFAOYSA-N
XLogP2.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2,2,2-trifluoroacetamide (CID 738981) is N-[4-(diethylsulfamoyl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2,2,2-trifluoroacetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is UTRLGWRULBAZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c1-3-17(4-2)21(19,20)10-7-5-9(6-8-10)16-11(18)12(13,14)15/h5-8H,3-4H2,1-2H3,(H,16,18).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2,2,2-trifluoroacetamide?
N-[4-(diethylsulfamoyl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 324.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 738981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).