2-[2-[(2,5-difluorophenyl)sulfonylmethylamino]ethoxy]acetic acid

C11H13F2NO5S — CID 69319429

IUPAC2-[2-[(2,5-difluorophenyl)sulfonylmethylamino]ethoxy]acetic acid
SMILESO=C(O)COCCNCS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H13F2NO5S/c12-8-1-2-9(13)10(5-8)20(17,18)7-14-3-4-19-6-11(15)16/h1-2,5,14H,3-4,6-7H2,(H,15,16)
InChIKeySSILVJNJCGCCEF-UHFFFAOYSA-N
MW309.29 g/mol
LogP0.39
Rot. Bonds8

About 2-[2-[(2,5-difluorophenyl)sulfonylmethylamino]ethoxy]acetic acid

2-[2-[(2,5-difluorophenyl)sulfonylmethylamino]ethoxy]acetic acid (PubChem CID 69319429) has the molecular formula C11H13F2NO5S and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-[2-[(2,5-difluorophenyl)sulfonylmethylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2,5-difluorophenyl)sulfonylmethylamino]ethoxy]acetic acid
PubChem CID69319429
Molecular FormulaC11H13F2NO5S
Molecular Weight309.29 g/mol
Exact Mass309.05
IUPAC Name2-[2-[(2,5-difluorophenyl)sulfonylmethylamino]ethoxy]acetic acid
SMILESO=C(O)COCCNCS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H13F2NO5S/c12-8-1-2-9(13)10(5-8)20(17,18)7-14-3-4-19-6-11(15)16/h1-2,5,14H,3-4,6-7H2,(H,15,16)
InChIKeySSILVJNJCGCCEF-UHFFFAOYSA-N
XLogP0.39
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 50.39
H-Bond Donors ≤ 52
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-bromo-4-fluorophenyl)sulfonylamino]ethoxy]acetic acid
CID 79457271
N-[2-(2-bromoethoxy)ethyl]-2,5-difluorobenzenesulfonamide
CID 113271438
2-[2-[(4-fluorophenyl)sulfonylamino]ethoxy]acetic acid
CID 79457001
2-[2-[(2-chloro-4-methoxyphenyl)sulfonylmethylamino]ethoxy]acetic acid
CID 69317768
3-(2,5-difluorophenyl)sulfonylpropanoic acid
CID 16774065
2-[2-[(2,5-difluorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463026
2-[2-[(4-methoxyphenyl)sulfonylmethylamino]ethoxy]acetic acid
CID 66703328
2-[2-[(5-chlorothiophen-2-yl)sulfonylmethylamino]ethoxy]acetic acid
CID 69324049
2-[(2,4-difluorophenyl)sulfonylamino]oxyacetic acid
CID 60661324
2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetic acid
CID 79457668
2-[2-[(4-fluorobenzoyl)amino]ethoxy]acetic acid
CID 79456610
2,5-difluorobenzenesulfonic acid;hydrochloride
CID 174777821

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,5-difluorophenyl)sulfonylmethylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(2,5-difluorophenyl)sulfonylmethylamino]ethoxy]acetic acid (CID 69319429) is 2-[2-[(2,5-difluorophenyl)sulfonylmethylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2,5-difluorophenyl)sulfonylmethylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2,5-difluorophenyl)sulfonylmethylamino]ethoxy]acetic acid is O=C(O)COCCNCS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 2-[2-[(2,5-difluorophenyl)sulfonylmethylamino]ethoxy]acetic acid?
The InChIKey is SSILVJNJCGCCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO5S/c12-8-1-2-9(13)10(5-8)20(17,18)7-14-3-4-19-6-11(15)16/h1-2,5,14H,3-4,6-7H2,(H,15,16).
What are the key properties of 2-[2-[(2,5-difluorophenyl)sulfonylmethylamino]ethoxy]acetic acid?
2-[2-[(2,5-difluorophenyl)sulfonylmethylamino]ethoxy]acetic acid has a molecular weight of 309.29 g/mol, XLogP of 0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,5-difluorophenyl)sulfonylmethylamino]ethoxy]acetic acid is sourced from PubChem (CID 69319429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).