N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide

C13H17F3N2O4S — CID 56712924

IUPACN-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)CCNC(=O)C(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O4S/c1-18(2)23(21,22)8-7-17-12(20)11(19)9-3-5-10(6-4-9)13(14,15)16/h3-6,11,19H,7-8H2,1-2H3,(H,17,20)
InChIKeyMMXQBVPFXIVYSQ-UHFFFAOYSA-N
MW354.35 g/mol
LogP0.75
Rot. Bonds6

About N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide

N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 56712924) has the molecular formula C13H17F3N2O4S and a molecular weight of 354.35 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID56712924
Molecular FormulaC13H17F3N2O4S
Molecular Weight354.35 g/mol
Exact Mass354.09
IUPAC NameN-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)CCNC(=O)C(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O4S/c1-18(2)23(21,22)8-7-17-12(20)11(19)9-3-5-10(6-4-9)13(14,15)16/h3-6,11,19H,7-8H2,1-2H3,(H,17,20)
InChIKeyMMXQBVPFXIVYSQ-UHFFFAOYSA-N
XLogP0.75
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide (CID 56712924) is N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide is CN(C)S(=O)(=O)CCNC(=O)C(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MMXQBVPFXIVYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O4S/c1-18(2)23(21,22)8-7-17-12(20)11(19)9-3-5-10(6-4-9)13(14,15)16/h3-6,11,19H,7-8H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 354.35 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 56712924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).