2-(2-methyl-4-sulfamoylphenoxy)acetic acid

C9H11NO5S — CID 6497085

IUPAC2-(2-methyl-4-sulfamoylphenoxy)acetic acid
SMILESCc1cc(S(N)(=O)=O)ccc1OCC(=O)O
InChIInChI=1S/C9H11NO5S/c1-6-4-7(16(10,13)14)2-3-8(6)15-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)(H2,10,13,14)
InChIKeyQXENFHVCZIWQDJ-UHFFFAOYSA-N
MW245.26 g/mol
LogP0.11
Rot. Bonds4

About 2-(2-methyl-4-sulfamoylphenoxy)acetic acid

2-(2-methyl-4-sulfamoylphenoxy)acetic acid (PubChem CID 6497085) has the molecular formula C9H11NO5S and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-(2-methyl-4-sulfamoylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-4-sulfamoylphenoxy)acetic acid
PubChem CID6497085
Molecular FormulaC9H11NO5S
Molecular Weight245.26 g/mol
Exact Mass245.04
IUPAC Name2-(2-methyl-4-sulfamoylphenoxy)acetic acid
SMILESCc1cc(S(N)(=O)=O)ccc1OCC(=O)O
InChIInChI=1S/C9H11NO5S/c1-6-4-7(16(10,13)14)2-3-8(6)15-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)(H2,10,13,14)
InChIKeyQXENFHVCZIWQDJ-UHFFFAOYSA-N
XLogP0.11
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-sulfamoylphenoxy)acetic acid?
The IUPAC name of 2-(2-methyl-4-sulfamoylphenoxy)acetic acid (CID 6497085) is 2-(2-methyl-4-sulfamoylphenoxy)acetic acid.
What is the SMILES notation for 2-(2-methyl-4-sulfamoylphenoxy)acetic acid?
The canonical SMILES for 2-(2-methyl-4-sulfamoylphenoxy)acetic acid is Cc1cc(S(N)(=O)=O)ccc1OCC(=O)O.
What is the InChIKey of 2-(2-methyl-4-sulfamoylphenoxy)acetic acid?
The InChIKey is QXENFHVCZIWQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5S/c1-6-4-7(16(10,13)14)2-3-8(6)15-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)(H2,10,13,14).
What are the key properties of 2-(2-methyl-4-sulfamoylphenoxy)acetic acid?
2-(2-methyl-4-sulfamoylphenoxy)acetic acid has a molecular weight of 245.26 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-sulfamoylphenoxy)acetic acid is sourced from PubChem (CID 6497085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).