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

C10H11BrFNO5S — CID 79457271

IUPAC2-[2-[(2-bromo-4-fluorophenyl)sulfonylamino]ethoxy]acetic acid
SMILESO=C(O)COCCNS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C10H11BrFNO5S/c11-8-5-7(12)1-2-9(8)19(16,17)13-3-4-18-6-10(14)15/h1-2,5,13H,3-4,6H2,(H,14,15)
InChIKeyAIIITVVZLGQZAU-UHFFFAOYSA-N
MW356.17 g/mol
LogP0.97
Rot. Bonds7

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

2-[2-[(2-bromo-4-fluorophenyl)sulfonylamino]ethoxy]acetic acid (PubChem CID 79457271) has the molecular formula C10H11BrFNO5S and a molecular weight of 356.17 g/mol. Its IUPAC name is 2-[2-[(2-bromo-4-fluorophenyl)sulfonylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-bromo-4-fluorophenyl)sulfonylamino]ethoxy]acetic acid
PubChem CID79457271
Molecular FormulaC10H11BrFNO5S
Molecular Weight356.17 g/mol
Exact Mass354.95
IUPAC Name2-[2-[(2-bromo-4-fluorophenyl)sulfonylamino]ethoxy]acetic acid
SMILESO=C(O)COCCNS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C10H11BrFNO5S/c11-8-5-7(12)1-2-9(8)19(16,17)13-3-4-18-6-10(14)15/h1-2,5,13H,3-4,6H2,(H,14,15)
InChIKeyAIIITVVZLGQZAU-UHFFFAOYSA-N
XLogP0.97
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 50.97
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

2-bromo-4-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 113258225
2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47204744
2-[2-[(4-fluorophenyl)sulfonylamino]ethoxy]acetic acid
CID 79457001
2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60823428
4-[2-(2-amino-2-oxoethoxy)ethylsulfamoyl]-3-bromobenzoic acid
CID 104655952
methyl 4-[(2-bromo-4-fluorophenyl)sulfonylamino]butanoate
CID 61060420
3-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47305418
N-[2-(2-bromoethoxy)ethyl]-2,5-difluorobenzenesulfonamide
CID 113271438
2-[2-[(2,5-difluorophenyl)sulfonylmethylamino]ethoxy]acetic acid
CID 69319429
3-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66165035
2-[2-[(2,4-dimethoxyphenyl)sulfonylamino]ethoxy]acetic acid
CID 79469582
2-bromo-4-fluoro-N-pentylbenzenesulfonamide
CID 47257446

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-bromo-4-fluorophenyl)sulfonylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(2-bromo-4-fluorophenyl)sulfonylamino]ethoxy]acetic acid (CID 79457271) is 2-[2-[(2-bromo-4-fluorophenyl)sulfonylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-bromo-4-fluorophenyl)sulfonylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-bromo-4-fluorophenyl)sulfonylamino]ethoxy]acetic acid is O=C(O)COCCNS(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-[2-[(2-bromo-4-fluorophenyl)sulfonylamino]ethoxy]acetic acid?
The InChIKey is AIIITVVZLGQZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO5S/c11-8-5-7(12)1-2-9(8)19(16,17)13-3-4-18-6-10(14)15/h1-2,5,13H,3-4,6H2,(H,14,15).
What are the key properties of 2-[2-[(2-bromo-4-fluorophenyl)sulfonylamino]ethoxy]acetic acid?
2-[2-[(2-bromo-4-fluorophenyl)sulfonylamino]ethoxy]acetic acid has a molecular weight of 356.17 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-bromo-4-fluorophenyl)sulfonylamino]ethoxy]acetic acid is sourced from PubChem (CID 79457271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).