methyl 2-hydroxy-5-sulfamoylbenzoate

C8H9NO5S — CID 14266941

IUPACmethyl 2-hydroxy-5-sulfamoylbenzoate
SMILESCOC(=O)c1cc(S(N)(=O)=O)ccc1O
InChIInChI=1S/C8H9NO5S/c1-14-8(11)6-4-5(15(9,12)13)2-3-7(6)10/h2-4,10H,1H3,(H2,9,12,13)
InChIKeyUXIOLQXYYAZTJG-UHFFFAOYSA-N
MW231.23 g/mol
LogP-0.17
Rot. Bonds2

About methyl 2-hydroxy-5-sulfamoylbenzoate

methyl 2-hydroxy-5-sulfamoylbenzoate (PubChem CID 14266941) has the molecular formula C8H9NO5S and a molecular weight of 231.23 g/mol. Its IUPAC name is methyl 2-hydroxy-5-sulfamoylbenzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-5-sulfamoylbenzoate
PubChem CID14266941
Molecular FormulaC8H9NO5S
Molecular Weight231.23 g/mol
Exact Mass231.02
IUPAC Namemethyl 2-hydroxy-5-sulfamoylbenzoate
SMILESCOC(=O)c1cc(S(N)(=O)=O)ccc1O
InChIInChI=1S/C8H9NO5S/c1-14-8(11)6-4-5(15(9,12)13)2-3-7(6)10/h2-4,10H,1H3,(H2,9,12,13)
InChIKeyUXIOLQXYYAZTJG-UHFFFAOYSA-N
XLogP-0.17
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-5-sulfamoylbenzoate?
The IUPAC name of methyl 2-hydroxy-5-sulfamoylbenzoate (CID 14266941) is methyl 2-hydroxy-5-sulfamoylbenzoate.
What is the SMILES notation for methyl 2-hydroxy-5-sulfamoylbenzoate?
The canonical SMILES for methyl 2-hydroxy-5-sulfamoylbenzoate is COC(=O)c1cc(S(N)(=O)=O)ccc1O.
What is the InChIKey of methyl 2-hydroxy-5-sulfamoylbenzoate?
The InChIKey is UXIOLQXYYAZTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO5S/c1-14-8(11)6-4-5(15(9,12)13)2-3-7(6)10/h2-4,10H,1H3,(H2,9,12,13).
What are the key properties of methyl 2-hydroxy-5-sulfamoylbenzoate?
methyl 2-hydroxy-5-sulfamoylbenzoate has a molecular weight of 231.23 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-5-sulfamoylbenzoate is sourced from PubChem (CID 14266941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).