2-(4-azidosulfonylphenoxy)acetic acid

C8H7N3O5S — CID 23039786

IUPAC2-(4-azidosulfonylphenoxy)acetic acid
SMILES[N-]=[N+]=NS(=O)(=O)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C8H7N3O5S/c9-10-11-17(14,15)7-3-1-6(2-4-7)16-5-8(12)13/h1-4H,5H2,(H,12,13)
InChIKeyKQPUUBBRXBUZRW-UHFFFAOYSA-N
MW257.23 g/mol
LogP1.15
Rot. Bonds5

About 2-(4-azidosulfonylphenoxy)acetic acid

2-(4-azidosulfonylphenoxy)acetic acid (PubChem CID 23039786) has the molecular formula C8H7N3O5S and a molecular weight of 257.23 g/mol. Its IUPAC name is 2-(4-azidosulfonylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-azidosulfonylphenoxy)acetic acid
PubChem CID23039786
Molecular FormulaC8H7N3O5S
Molecular Weight257.23 g/mol
Exact Mass257.01
IUPAC Name2-(4-azidosulfonylphenoxy)acetic acid
SMILES[N-]=[N+]=NS(=O)(=O)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C8H7N3O5S/c9-10-11-17(14,15)7-3-1-6(2-4-7)16-5-8(12)13/h1-4H,5H2,(H,12,13)
InChIKeyKQPUUBBRXBUZRW-UHFFFAOYSA-N
XLogP1.15
TPSA129.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-diazo-4-(3-trihydroxysilylpropoxy)benzenesulfonamide
CID 89455528
2-[4-[4-(carboxymethoxy)phenyl]sulfonyloxyphenoxy]acetic acid
CID 139738775
2-[4-(bromomethylsulfonyl)phenoxy]acetic acid
CID 89074219
2-(4-propan-2-ylsulfonylphenoxy)acetic acid
CID 82646763
N-diazo-4-(4-ethylphenoxy)benzenesulfonamide
CID 91323840
N-diazo-4-methylsulfonylbenzenesulfonamide
CID 43286601
2-[4-[12-[4-(carboxymethoxy)phenoxy]dodecoxy]phenoxy]acetic acid
CID 139839554
2-(4-phosphanylphenoxy)acetic acid
CID 143227716
2-[4-(pyridin-2-ylsulfamoyl)phenoxy]acetic acid
CID 43132249
2-[4-(2,2-difluoroethylsulfamoyl)phenoxy]acetic acid
CID 115405544
2-phenoxyacetic acid;titanium
CID 174896747
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418

Frequently Asked Questions

What is the IUPAC name of 2-(4-azidosulfonylphenoxy)acetic acid?
The IUPAC name of 2-(4-azidosulfonylphenoxy)acetic acid (CID 23039786) is 2-(4-azidosulfonylphenoxy)acetic acid.
What is the SMILES notation for 2-(4-azidosulfonylphenoxy)acetic acid?
The canonical SMILES for 2-(4-azidosulfonylphenoxy)acetic acid is [N-]=[N+]=NS(=O)(=O)c1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-(4-azidosulfonylphenoxy)acetic acid?
The InChIKey is KQPUUBBRXBUZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O5S/c9-10-11-17(14,15)7-3-1-6(2-4-7)16-5-8(12)13/h1-4H,5H2,(H,12,13).
What are the key properties of 2-(4-azidosulfonylphenoxy)acetic acid?
2-(4-azidosulfonylphenoxy)acetic acid has a molecular weight of 257.23 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-azidosulfonylphenoxy)acetic acid is sourced from PubChem (CID 23039786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).