2-methoxy-5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid

C12H15NO7S — CID 60780474

IUPAC2-methoxy-5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid
SMILESCOC(=O)C(C)NS(=O)(=O)c1ccc(OC)c(C(=O)O)c1
InChIInChI=1S/C12H15NO7S/c1-7(12(16)20-3)13-21(17,18)8-4-5-10(19-2)9(6-8)11(14)15/h4-7,13H,1-3H3,(H,14,15)
InChIKeyPFZNMUPHPVWYBA-UHFFFAOYSA-N
MW317.32 g/mol
LogP0.23
Rot. Bonds6

About 2-methoxy-5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid

2-methoxy-5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid (PubChem CID 60780474) has the molecular formula C12H15NO7S and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-methoxy-5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid
PubChem CID60780474
Molecular FormulaC12H15NO7S
Molecular Weight317.32 g/mol
Exact Mass317.06
IUPAC Name2-methoxy-5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid
SMILESCOC(=O)C(C)NS(=O)(=O)c1ccc(OC)c(C(=O)O)c1
InChIInChI=1S/C12H15NO7S/c1-7(12(16)20-3)13-21(17,18)8-4-5-10(19-2)9(6-8)11(14)15/h4-7,13H,1-3H3,(H,14,15)
InChIKeyPFZNMUPHPVWYBA-UHFFFAOYSA-N
XLogP0.23
TPSA119.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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2-iodo-5-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]benzoic acid
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methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate
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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid?
The IUPAC name of 2-methoxy-5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid (CID 60780474) is 2-methoxy-5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-methoxy-5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-methoxy-5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid is COC(=O)C(C)NS(=O)(=O)c1ccc(OC)c(C(=O)O)c1.
What is the InChIKey of 2-methoxy-5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid?
The InChIKey is PFZNMUPHPVWYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO7S/c1-7(12(16)20-3)13-21(17,18)8-4-5-10(19-2)9(6-8)11(14)15/h4-7,13H,1-3H3,(H,14,15).
What are the key properties of 2-methoxy-5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid?
2-methoxy-5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid has a molecular weight of 317.32 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 60780474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).