2-hydroxy-4-methylsulfonylbenzamide

C8H9NO4S — CID 90873956

IUPAC2-hydroxy-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(N)=O)c(O)c1
InChIInChI=1S/C8H9NO4S/c1-14(12,13)5-2-3-6(8(9)11)7(10)4-5/h2-4,10H,1H3,(H2,9,11)
InChIKeyDGKHIQMAAAEEDQ-UHFFFAOYSA-N
MW215.23 g/mol
LogP-0.11
Rot. Bonds2

About 2-hydroxy-4-methylsulfonylbenzamide

2-hydroxy-4-methylsulfonylbenzamide (PubChem CID 90873956) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-hydroxy-4-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-hydroxy-4-methylsulfonylbenzamide
PubChem CID90873956
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name2-hydroxy-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(N)=O)c(O)c1
InChIInChI=1S/C8H9NO4S/c1-14(12,13)5-2-3-6(8(9)11)7(10)4-5/h2-4,10H,1H3,(H2,9,11)
InChIKeyDGKHIQMAAAEEDQ-UHFFFAOYSA-N
XLogP-0.11
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methylsulfonylbenzamide?
The IUPAC name of 2-hydroxy-4-methylsulfonylbenzamide (CID 90873956) is 2-hydroxy-4-methylsulfonylbenzamide.
What is the SMILES notation for 2-hydroxy-4-methylsulfonylbenzamide?
The canonical SMILES for 2-hydroxy-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(N)=O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methylsulfonylbenzamide?
The InChIKey is DGKHIQMAAAEEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c1-14(12,13)5-2-3-6(8(9)11)7(10)4-5/h2-4,10H,1H3,(H2,9,11).
What are the key properties of 2-hydroxy-4-methylsulfonylbenzamide?
2-hydroxy-4-methylsulfonylbenzamide has a molecular weight of 215.23 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methylsulfonylbenzamide is sourced from PubChem (CID 90873956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).