2-[(3R)-1,1-dioxothiolan-3-yl]-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide

C14H17F3N2O5S2 — CID 9474862

IUPAC2-[(3R)-1,1-dioxothiolan-3-yl]-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide
SMILESO=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O5S2/c15-14(16,17)9-18-26(23,24)12-3-1-11(2-4-12)19-13(20)7-10-5-6-25(21,22)8-10/h1-4,10,18H,5-9H2,(H,19,20)/t10-/m0/s1
InChIKeyXUJRYSVLALARIG-JTQLQIEISA-N
MW414.43 g/mol
LogP1.29
Rot. Bonds6

About 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide

2-[(3R)-1,1-dioxothiolan-3-yl]-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide (PubChem CID 9474862) has the molecular formula C14H17F3N2O5S2 and a molecular weight of 414.43 g/mol. Its IUPAC name is 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-1,1-dioxothiolan-3-yl]-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide
PubChem CID9474862
Molecular FormulaC14H17F3N2O5S2
Molecular Weight414.43 g/mol
Exact Mass414.05
IUPAC Name2-[(3R)-1,1-dioxothiolan-3-yl]-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide
SMILESO=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O5S2/c15-14(16,17)9-18-26(23,24)12-3-1-11(2-4-12)19-13(20)7-10-5-6-25(21,22)8-10/h1-4,10,18H,5-9H2,(H,19,20)/t10-/m0/s1
InChIKeyXUJRYSVLALARIG-JTQLQIEISA-N
XLogP1.29
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide (CID 9474862) is 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide is O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide?
The InChIKey is XUJRYSVLALARIG-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17F3N2O5S2/c15-14(16,17)9-18-26(23,24)12-3-1-11(2-4-12)19-13(20)7-10-5-6-25(21,22)8-10/h1-4,10,18H,5-9H2,(H,19,20)/t10-/m0/s1.
What are the key properties of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide?
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide has a molecular weight of 414.43 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 9474862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).