2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetic acid

C9H8F3NO4S — CID 697902

IUPAC2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H8F3NO4S/c10-9(11,12)6-2-1-3-7(4-6)18(16,17)13-5-8(14)15/h1-4,13H,5H2,(H,14,15)
InChIKeyYSZHCOBVLXGMJQ-UHFFFAOYSA-N
MW283.23 g/mol
LogP1.07
Rot. Bonds4

About 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetic acid

2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetic acid (PubChem CID 697902) has the molecular formula C9H8F3NO4S and a molecular weight of 283.23 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetic acid
PubChem CID697902
Molecular FormulaC9H8F3NO4S
Molecular Weight283.23 g/mol
Exact Mass283.01
IUPAC Name2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H8F3NO4S/c10-9(11,12)6-2-1-3-7(4-6)18(16,17)13-5-8(14)15/h1-4,13H,5H2,(H,14,15)
InChIKeyYSZHCOBVLXGMJQ-UHFFFAOYSA-N
XLogP1.07
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetic acid?
The IUPAC name of 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetic acid (CID 697902) is 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetic acid.
What is the SMILES notation for 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetic acid?
The canonical SMILES for 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetic acid?
The InChIKey is YSZHCOBVLXGMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO4S/c10-9(11,12)6-2-1-3-7(4-6)18(16,17)13-5-8(14)15/h1-4,13H,5H2,(H,14,15).
What are the key properties of 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetic acid?
2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetic acid has a molecular weight of 283.23 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetic acid is sourced from PubChem (CID 697902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).