2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetic acid

C14H12FNO4S — CID 500045

IUPAC2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetic acid
SMILESO=C(O)C(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H12FNO4S/c15-11-6-8-12(9-7-11)21(19,20)16-13(14(17)18)10-4-2-1-3-5-10/h1-9,13,16H,(H,17,18)
InChIKeyRDYJUVZFLCNBPH-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.93
Rot. Bonds5

About 2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetic acid

2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetic acid (PubChem CID 500045) has the molecular formula C14H12FNO4S and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetic acid
PubChem CID500045
Molecular FormulaC14H12FNO4S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetic acid
SMILESO=C(O)C(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H12FNO4S/c15-11-6-8-12(9-7-11)21(19,20)16-13(14(17)18)10-4-2-1-3-5-10/h1-9,13,16H,(H,17,18)
InChIKeyRDYJUVZFLCNBPH-UHFFFAOYSA-N
XLogP1.93
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetic acid?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetic acid (CID 500045) is 2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetic acid is O=C(O)C(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetic acid?
The InChIKey is RDYJUVZFLCNBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4S/c15-11-6-8-12(9-7-11)21(19,20)16-13(14(17)18)10-4-2-1-3-5-10/h1-9,13,16H,(H,17,18).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetic acid?
2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetic acid has a molecular weight of 309.32 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetic acid is sourced from PubChem (CID 500045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).