2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfamoyl]acetic acid

C7H11F3N2O5S — CID 60950382

IUPAC2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfamoyl]acetic acid
SMILESCN(CC(=O)NCC(F)(F)F)S(=O)(=O)CC(=O)O
InChIInChI=1S/C7H11F3N2O5S/c1-12(18(16,17)3-6(14)15)2-5(13)11-4-7(8,9)10/h2-4H2,1H3,(H,11,13)(H,14,15)
InChIKeyIWIFBYBUHIKSRT-UHFFFAOYSA-N
MW292.24 g/mol
LogP-0.99
Rot. Bonds6

About 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfamoyl]acetic acid

2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfamoyl]acetic acid (PubChem CID 60950382) has the molecular formula C7H11F3N2O5S and a molecular weight of 292.24 g/mol. Its IUPAC name is 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfamoyl]acetic acid
PubChem CID60950382
Molecular FormulaC7H11F3N2O5S
Molecular Weight292.24 g/mol
Exact Mass292.03
IUPAC Name2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfamoyl]acetic acid
SMILESCN(CC(=O)NCC(F)(F)F)S(=O)(=O)CC(=O)O
InChIInChI=1S/C7H11F3N2O5S/c1-12(18(16,17)3-6(14)15)2-5(13)11-4-7(8,9)10/h2-4H2,1H3,(H,11,13)(H,14,15)
InChIKeyIWIFBYBUHIKSRT-UHFFFAOYSA-N
XLogP-0.99
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfamoyl]acetic acid?
The IUPAC name of 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfamoyl]acetic acid (CID 60950382) is 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfamoyl]acetic acid.
What is the SMILES notation for 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfamoyl]acetic acid?
The canonical SMILES for 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfamoyl]acetic acid is CN(CC(=O)NCC(F)(F)F)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfamoyl]acetic acid?
The InChIKey is IWIFBYBUHIKSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O5S/c1-12(18(16,17)3-6(14)15)2-5(13)11-4-7(8,9)10/h2-4H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfamoyl]acetic acid?
2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfamoyl]acetic acid has a molecular weight of 292.24 g/mol, XLogP of -0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfamoyl]acetic acid is sourced from PubChem (CID 60950382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).