2-[(2,3,4-trifluorophenyl)sulfonylamino]acetic acid

C8H6F3NO4S — CID 2405271

IUPAC2-[(2,3,4-trifluorophenyl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C8H6F3NO4S/c9-4-1-2-5(8(11)7(4)10)17(15,16)12-3-6(13)14/h1-2,12H,3H2,(H,13,14)
InChIKeyYFDLVBJUNIEITC-UHFFFAOYSA-N
MW269.20 g/mol
LogP0.47
Rot. Bonds4

About 2-[(2,3,4-trifluorophenyl)sulfonylamino]acetic acid

2-[(2,3,4-trifluorophenyl)sulfonylamino]acetic acid (PubChem CID 2405271) has the molecular formula C8H6F3NO4S and a molecular weight of 269.20 g/mol. Its IUPAC name is 2-[(2,3,4-trifluorophenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,3,4-trifluorophenyl)sulfonylamino]acetic acid
PubChem CID2405271
Molecular FormulaC8H6F3NO4S
Molecular Weight269.20 g/mol
Exact Mass269.00
IUPAC Name2-[(2,3,4-trifluorophenyl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C8H6F3NO4S/c9-4-1-2-5(8(11)7(4)10)17(15,16)12-3-6(13)14/h1-2,12H,3H2,(H,13,14)
InChIKeyYFDLVBJUNIEITC-UHFFFAOYSA-N
XLogP0.47
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.20
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-[(2,3,4-trifluorophenyl)sulfonylamino]acetic acid 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-[(2,3,4-trifluorophenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(2,3,4-trifluorophenyl)sulfonylamino]acetic acid (CID 2405271) is 2-[(2,3,4-trifluorophenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(2,3,4-trifluorophenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(2,3,4-trifluorophenyl)sulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-[(2,3,4-trifluorophenyl)sulfonylamino]acetic acid?
The InChIKey is YFDLVBJUNIEITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO4S/c9-4-1-2-5(8(11)7(4)10)17(15,16)12-3-6(13)14/h1-2,12H,3H2,(H,13,14).
What are the key properties of 2-[(2,3,4-trifluorophenyl)sulfonylamino]acetic acid?
2-[(2,3,4-trifluorophenyl)sulfonylamino]acetic acid has a molecular weight of 269.20 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,4-trifluorophenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 2405271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).