2-(3-sulfamoylphenoxy)acetic acid

C8H9NO5S — CID 95909902

IUPAC2-(3-sulfamoylphenoxy)acetic acid
SMILESNS(=O)(=O)c1cccc(OCC(=O)O)c1
InChIInChI=1S/C8H9NO5S/c9-15(12,13)7-3-1-2-6(4-7)14-5-8(10)11/h1-4H,5H2,(H,10,11)(H2,9,12,13)
InChIKeyCIRBZGQMKUVWRI-UHFFFAOYSA-N
MW231.23 g/mol
LogP-0.20
Rot. Bonds4

About 2-(3-sulfamoylphenoxy)acetic acid

2-(3-sulfamoylphenoxy)acetic acid (PubChem CID 95909902) has the molecular formula C8H9NO5S and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-(3-sulfamoylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(3-sulfamoylphenoxy)acetic acid
PubChem CID95909902
Molecular FormulaC8H9NO5S
Molecular Weight231.23 g/mol
Exact Mass231.02
IUPAC Name2-(3-sulfamoylphenoxy)acetic acid
SMILESNS(=O)(=O)c1cccc(OCC(=O)O)c1
InChIInChI=1S/C8H9NO5S/c9-15(12,13)7-3-1-2-6(4-7)14-5-8(10)11/h1-4H,5H2,(H,10,11)(H2,9,12,13)
InChIKeyCIRBZGQMKUVWRI-UHFFFAOYSA-N
XLogP-0.20
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-sulfamoylphenoxy)acetic acid?
The IUPAC name of 2-(3-sulfamoylphenoxy)acetic acid (CID 95909902) is 2-(3-sulfamoylphenoxy)acetic acid.
What is the SMILES notation for 2-(3-sulfamoylphenoxy)acetic acid?
The canonical SMILES for 2-(3-sulfamoylphenoxy)acetic acid is NS(=O)(=O)c1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-(3-sulfamoylphenoxy)acetic acid?
The InChIKey is CIRBZGQMKUVWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO5S/c9-15(12,13)7-3-1-2-6(4-7)14-5-8(10)11/h1-4H,5H2,(H,10,11)(H2,9,12,13).
What are the key properties of 2-(3-sulfamoylphenoxy)acetic acid?
2-(3-sulfamoylphenoxy)acetic acid has a molecular weight of 231.23 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-sulfamoylphenoxy)acetic acid is sourced from PubChem (CID 95909902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).