2-[2-[(4-fluorophenyl)sulfonylamino]ethoxy]acetic acid

C10H12FNO5S — CID 79457001

IUPAC2-[2-[(4-fluorophenyl)sulfonylamino]ethoxy]acetic acid
SMILESO=C(O)COCCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO5S/c11-8-1-3-9(4-2-8)18(15,16)12-5-6-17-7-10(13)14/h1-4,12H,5-7H2,(H,13,14)
InChIKeyRULBULJLAYMLSE-UHFFFAOYSA-N
MW277.27 g/mol
LogP0.21
Rot. Bonds7

About 2-[2-[(4-fluorophenyl)sulfonylamino]ethoxy]acetic acid

2-[2-[(4-fluorophenyl)sulfonylamino]ethoxy]acetic acid (PubChem CID 79457001) has the molecular formula C10H12FNO5S and a molecular weight of 277.27 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenyl)sulfonylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-fluorophenyl)sulfonylamino]ethoxy]acetic acid
PubChem CID79457001
Molecular FormulaC10H12FNO5S
Molecular Weight277.27 g/mol
Exact Mass277.04
IUPAC Name2-[2-[(4-fluorophenyl)sulfonylamino]ethoxy]acetic acid
SMILESO=C(O)COCCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO5S/c11-8-1-3-9(4-2-8)18(15,16)12-5-6-17-7-10(13)14/h1-4,12H,5-7H2,(H,13,14)
InChIKeyRULBULJLAYMLSE-UHFFFAOYSA-N
XLogP0.21
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 61248662
2-[2-[(4-acetamidophenyl)sulfonylamino]ethoxy]acetic acid
CID 79469314
2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethoxy]acetic acid
CID 79457362
2-[2-[(2-bromo-4-fluorophenyl)sulfonylamino]ethoxy]acetic acid
CID 79457271
2-[2-[4-(ethylsulfamoyl)anilino]ethoxy]acetic acid
CID 79457379
2-[4-[2-[(4-fluorophenyl)sulfonylamino]ethylsulfanyl]phenoxy]acetic acid
CID 10249487
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
2-[2-[(3-methylphenyl)sulfonylamino]ethoxy]acetic acid
CID 79456829
2-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethoxy]acetic acid
CID 79456556
2-[2-(benzenesulfonamido)ethoxy]acetamide
CID 103766575
2-[2-[(4-fluorobenzoyl)amino]ethoxy]acetic acid
CID 79456610
4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 110418282

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenyl)sulfonylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-fluorophenyl)sulfonylamino]ethoxy]acetic acid (CID 79457001) is 2-[2-[(4-fluorophenyl)sulfonylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-fluorophenyl)sulfonylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-fluorophenyl)sulfonylamino]ethoxy]acetic acid is O=C(O)COCCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[2-[(4-fluorophenyl)sulfonylamino]ethoxy]acetic acid?
The InChIKey is RULBULJLAYMLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO5S/c11-8-1-3-9(4-2-8)18(15,16)12-5-6-17-7-10(13)14/h1-4,12H,5-7H2,(H,13,14).
What are the key properties of 2-[2-[(4-fluorophenyl)sulfonylamino]ethoxy]acetic acid?
2-[2-[(4-fluorophenyl)sulfonylamino]ethoxy]acetic acid has a molecular weight of 277.27 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenyl)sulfonylamino]ethoxy]acetic acid is sourced from PubChem (CID 79457001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).