2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetic acid

C10H13FN2O5S — CID 79457668

IUPAC2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetic acid
SMILESNS(=O)(=O)c1ccc(NCCOCC(=O)O)c(F)c1
InChIInChI=1S/C10H13FN2O5S/c11-8-5-7(19(12,16)17)1-2-9(8)13-3-4-18-6-10(14)15/h1-2,5,13H,3-4,6H2,(H,14,15)(H2,12,16,17)
InChIKeyJYWWHIAXTDOJLL-UHFFFAOYSA-N
MW292.29 g/mol
LogP-0.01
Rot. Bonds7

About 2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetic acid

2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetic acid (PubChem CID 79457668) has the molecular formula C10H13FN2O5S and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetic acid
PubChem CID79457668
Molecular FormulaC10H13FN2O5S
Molecular Weight292.29 g/mol
Exact Mass292.05
IUPAC Name2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetic acid
SMILESNS(=O)(=O)c1ccc(NCCOCC(=O)O)c(F)c1
InChIInChI=1S/C10H13FN2O5S/c11-8-5-7(19(12,16)17)1-2-9(8)13-3-4-18-6-10(14)15/h1-2,5,13H,3-4,6H2,(H,14,15)(H2,12,16,17)
InChIKeyJYWWHIAXTDOJLL-UHFFFAOYSA-N
XLogP-0.01
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetamide
CID 106239840
4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide
CID 60965986
3-fluoro-4-(propylamino)benzenesulfonamide
CID 60713095
3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide
CID 106842759
3-fluoro-4-[2-(2-methoxyethylamino)ethylamino]benzenesulfonamide
CID 83029980
4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide
CID 115303754
2-[2-(2-bromo-4-carbamoylanilino)ethoxy]acetic acid
CID 82797047
4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzenesulfonamide
CID 106338502
3-ethoxy-N-(2-fluoro-4-sulfamoylphenyl)propanamide
CID 55091208
3-amino-4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591103
3-amino-4-[2-(2,2,2-trifluoroethoxy)ethylamino]benzenesulfonamide
CID 63827628
4-(3-ethylsulfanylpropylamino)-3-fluorobenzenesulfonamide
CID 114248401

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetic acid (CID 79457668) is 2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetic acid is NS(=O)(=O)c1ccc(NCCOCC(=O)O)c(F)c1.
What is the InChIKey of 2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetic acid?
The InChIKey is JYWWHIAXTDOJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O5S/c11-8-5-7(19(12,16)17)1-2-9(8)13-3-4-18-6-10(14)15/h1-2,5,13H,3-4,6H2,(H,14,15)(H2,12,16,17).
What are the key properties of 2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetic acid?
2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetic acid has a molecular weight of 292.29 g/mol, XLogP of -0.01, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetic acid is sourced from PubChem (CID 79457668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).