2-(2,2,2-trifluoroethylsulfamoyl)acetic acid

C4H6F3NO4S — CID 28774232

IUPAC2-(2,2,2-trifluoroethylsulfamoyl)acetic acid
SMILESO=C(O)CS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C4H6F3NO4S/c5-4(6,7)2-8-13(11,12)1-3(9)10/h8H,1-2H2,(H,9,10)
InChIKeyJKCPKTQTDNTLFM-UHFFFAOYSA-N
MW221.16 g/mol
LogP-0.45
Rot. Bonds4

About 2-(2,2,2-trifluoroethylsulfamoyl)acetic acid

2-(2,2,2-trifluoroethylsulfamoyl)acetic acid (PubChem CID 28774232) has the molecular formula C4H6F3NO4S and a molecular weight of 221.16 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylsulfamoyl)acetic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylsulfamoyl)acetic acid
PubChem CID28774232
Molecular FormulaC4H6F3NO4S
Molecular Weight221.16 g/mol
Exact Mass221.00
IUPAC Name2-(2,2,2-trifluoroethylsulfamoyl)acetic acid
SMILESO=C(O)CS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C4H6F3NO4S/c5-4(6,7)2-8-13(11,12)1-3(9)10/h8H,1-2H2,(H,9,10)
InChIKeyJKCPKTQTDNTLFM-UHFFFAOYSA-N
XLogP-0.45
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.16
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylsulfamoyl)acetic acid?
The IUPAC name of 2-(2,2,2-trifluoroethylsulfamoyl)acetic acid (CID 28774232) is 2-(2,2,2-trifluoroethylsulfamoyl)acetic acid.
What is the SMILES notation for 2-(2,2,2-trifluoroethylsulfamoyl)acetic acid?
The canonical SMILES for 2-(2,2,2-trifluoroethylsulfamoyl)acetic acid is O=C(O)CS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylsulfamoyl)acetic acid?
The InChIKey is JKCPKTQTDNTLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO4S/c5-4(6,7)2-8-13(11,12)1-3(9)10/h8H,1-2H2,(H,9,10).
What are the key properties of 2-(2,2,2-trifluoroethylsulfamoyl)acetic acid?
2-(2,2,2-trifluoroethylsulfamoyl)acetic acid has a molecular weight of 221.16 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylsulfamoyl)acetic acid is sourced from PubChem (CID 28774232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).