5-hydroxy-2-(2-methoxypropylsulfonylamino)benzamide

C11H16N2O5S — CID 138014510

IUPAC5-hydroxy-2-(2-methoxypropylsulfonylamino)benzamide
SMILESCOC(C)CS(=O)(=O)Nc1ccc(O)cc1C(N)=O
InChIInChI=1S/C11H16N2O5S/c1-7(18-2)6-19(16,17)13-10-4-3-8(14)5-9(10)11(12)15/h3-5,7,13-14H,6H2,1-2H3,(H2,12,15)
InChIKeyJUXSTWOSUADRPI-UHFFFAOYSA-N
MW288.33 g/mol
LogP0.27
Rot. Bonds6

About 5-hydroxy-2-(2-methoxypropylsulfonylamino)benzamide

5-hydroxy-2-(2-methoxypropylsulfonylamino)benzamide (PubChem CID 138014510) has the molecular formula C11H16N2O5S and a molecular weight of 288.33 g/mol. Its IUPAC name is 5-hydroxy-2-(2-methoxypropylsulfonylamino)benzamide.

Molecular Properties

Compound Name5-hydroxy-2-(2-methoxypropylsulfonylamino)benzamide
PubChem CID138014510
Molecular FormulaC11H16N2O5S
Molecular Weight288.33 g/mol
Exact Mass288.08
IUPAC Name5-hydroxy-2-(2-methoxypropylsulfonylamino)benzamide
SMILESCOC(C)CS(=O)(=O)Nc1ccc(O)cc1C(N)=O
InChIInChI=1S/C11H16N2O5S/c1-7(18-2)6-19(16,17)13-10-4-3-8(14)5-9(10)11(12)15/h3-5,7,13-14H,6H2,1-2H3,(H2,12,15)
InChIKeyJUXSTWOSUADRPI-UHFFFAOYSA-N
XLogP0.27
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(2-methoxypropylsulfonylamino)benzamide?
The IUPAC name of 5-hydroxy-2-(2-methoxypropylsulfonylamino)benzamide (CID 138014510) is 5-hydroxy-2-(2-methoxypropylsulfonylamino)benzamide.
What is the SMILES notation for 5-hydroxy-2-(2-methoxypropylsulfonylamino)benzamide?
The canonical SMILES for 5-hydroxy-2-(2-methoxypropylsulfonylamino)benzamide is COC(C)CS(=O)(=O)Nc1ccc(O)cc1C(N)=O.
What is the InChIKey of 5-hydroxy-2-(2-methoxypropylsulfonylamino)benzamide?
The InChIKey is JUXSTWOSUADRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-7(18-2)6-19(16,17)13-10-4-3-8(14)5-9(10)11(12)15/h3-5,7,13-14H,6H2,1-2H3,(H2,12,15).
What are the key properties of 5-hydroxy-2-(2-methoxypropylsulfonylamino)benzamide?
5-hydroxy-2-(2-methoxypropylsulfonylamino)benzamide has a molecular weight of 288.33 g/mol, XLogP of 0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(2-methoxypropylsulfonylamino)benzamide is sourced from PubChem (CID 138014510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).