2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetic acid

C16H16FNO5S — CID 1266057

IUPAC2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetic acid
SMILESCCOc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO5S/c1-2-23-14-7-5-13(6-8-14)18(11-16(19)20)24(21,22)15-9-3-12(17)4-10-15/h3-10H,2,11H2,1H3,(H,19,20)
InChIKeyZNPUJTXPEZRZAK-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.50
Rot. Bonds7

About 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetic acid

2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetic acid (PubChem CID 1266057) has the molecular formula C16H16FNO5S and a molecular weight of 353.37 g/mol. Its IUPAC name is 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetic acid
PubChem CID1266057
Molecular FormulaC16H16FNO5S
Molecular Weight353.37 g/mol
Exact Mass353.07
IUPAC Name2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetic acid
SMILESCCOc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO5S/c1-2-23-14-7-5-13(6-8-14)18(11-16(19)20)24(21,22)15-9-3-12(17)4-10-15/h3-10H,2,11H2,1H3,(H,19,20)
InChIKeyZNPUJTXPEZRZAK-UHFFFAOYSA-N
XLogP2.50
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetic acid?
The IUPAC name of 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetic acid (CID 1266057) is 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetic acid.
What is the SMILES notation for 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetic acid?
The canonical SMILES for 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetic acid is CCOc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetic acid?
The InChIKey is ZNPUJTXPEZRZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO5S/c1-2-23-14-7-5-13(6-8-14)18(11-16(19)20)24(21,22)15-9-3-12(17)4-10-15/h3-10H,2,11H2,1H3,(H,19,20).
What are the key properties of 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetic acid?
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetic acid has a molecular weight of 353.37 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetic acid is sourced from PubChem (CID 1266057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).