3-[(2-methoxy-2-oxoethyl)sulfamoylmethyl]benzoic acid

C11H13NO6S — CID 43362438

IUPAC3-[(2-methoxy-2-oxoethyl)sulfamoylmethyl]benzoic acid
SMILESCOC(=O)CNS(=O)(=O)Cc1cccc(C(=O)O)c1
InChIInChI=1S/C11H13NO6S/c1-18-10(13)6-12-19(16,17)7-8-3-2-4-9(5-8)11(14)15/h2-5,12H,6-7H2,1H3,(H,14,15)
InChIKeyLBZSWIGBTQJGDW-UHFFFAOYSA-N
MW287.29 g/mol
LogP-0.02
Rot. Bonds6

About 3-[(2-methoxy-2-oxoethyl)sulfamoylmethyl]benzoic acid

3-[(2-methoxy-2-oxoethyl)sulfamoylmethyl]benzoic acid (PubChem CID 43362438) has the molecular formula C11H13NO6S and a molecular weight of 287.29 g/mol. Its IUPAC name is 3-[(2-methoxy-2-oxoethyl)sulfamoylmethyl]benzoic acid.

Molecular Properties

Compound Name3-[(2-methoxy-2-oxoethyl)sulfamoylmethyl]benzoic acid
PubChem CID43362438
Molecular FormulaC11H13NO6S
Molecular Weight287.29 g/mol
Exact Mass287.05
IUPAC Name3-[(2-methoxy-2-oxoethyl)sulfamoylmethyl]benzoic acid
SMILESCOC(=O)CNS(=O)(=O)Cc1cccc(C(=O)O)c1
InChIInChI=1S/C11H13NO6S/c1-18-10(13)6-12-19(16,17)7-8-3-2-4-9(5-8)11(14)15/h2-5,12H,6-7H2,1H3,(H,14,15)
InChIKeyLBZSWIGBTQJGDW-UHFFFAOYSA-N
XLogP-0.02
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxypropylsulfamoylmethyl)benzoic acid
CID 43362620
3-(benzylsulfamoylmethyl)benzoic acid
CID 43362532
3-(2-methylsulfanylethylsulfamoylmethyl)benzoic acid
CID 43525945
3-[3-(methylamino)propylsulfamoylmethyl]benzoic acid
CID 61403731
3-(3-hydroxypropylsulfamoylmethyl)benzoic acid
CID 43499122
3-(ethylsulfonylmethyl)benzoic acid
CID 43386055
ethyl 2-[(3-carbamothioylphenyl)methylsulfonylamino]acetate
CID 61000145
3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoylmethyl]benzoic acid
CID 107848248
3-(2-pyrrol-1-ylethylsulfamoylmethyl)benzoic acid
CID 106390646
3-(oxan-4-ylmethylsulfamoylmethyl)benzoic acid
CID 63713772
methyl 3-(tert-butylsulfamoylmethyl)benzoate
CID 62065364
ethyl 2-[(3-aminophenyl)methylsulfonylamino]acetate
CID 60812498

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-2-oxoethyl)sulfamoylmethyl]benzoic acid?
The IUPAC name of 3-[(2-methoxy-2-oxoethyl)sulfamoylmethyl]benzoic acid (CID 43362438) is 3-[(2-methoxy-2-oxoethyl)sulfamoylmethyl]benzoic acid.
What is the SMILES notation for 3-[(2-methoxy-2-oxoethyl)sulfamoylmethyl]benzoic acid?
The canonical SMILES for 3-[(2-methoxy-2-oxoethyl)sulfamoylmethyl]benzoic acid is COC(=O)CNS(=O)(=O)Cc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(2-methoxy-2-oxoethyl)sulfamoylmethyl]benzoic acid?
The InChIKey is LBZSWIGBTQJGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO6S/c1-18-10(13)6-12-19(16,17)7-8-3-2-4-9(5-8)11(14)15/h2-5,12H,6-7H2,1H3,(H,14,15).
What are the key properties of 3-[(2-methoxy-2-oxoethyl)sulfamoylmethyl]benzoic acid?
3-[(2-methoxy-2-oxoethyl)sulfamoylmethyl]benzoic acid has a molecular weight of 287.29 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-2-oxoethyl)sulfamoylmethyl]benzoic acid is sourced from PubChem (CID 43362438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).