5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-2-methoxybenzoic acid

C12H15NO7S — CID 60812376

IUPAC5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-2-methoxybenzoic acid
SMILESCCOC(=O)CNS(=O)(=O)c1ccc(OC)c(C(=O)O)c1
InChIInChI=1S/C12H15NO7S/c1-3-20-11(14)7-13-21(17,18)8-4-5-10(19-2)9(6-8)12(15)16/h4-6,13H,3,7H2,1-2H3,(H,15,16)
InChIKeySCDHQMSOTNMIOQ-UHFFFAOYSA-N
MW317.32 g/mol
LogP0.23
Rot. Bonds7

About 5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-2-methoxybenzoic acid

5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-2-methoxybenzoic acid (PubChem CID 60812376) has the molecular formula C12H15NO7S and a molecular weight of 317.32 g/mol. Its IUPAC name is 5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-2-methoxybenzoic acid
PubChem CID60812376
Molecular FormulaC12H15NO7S
Molecular Weight317.32 g/mol
Exact Mass317.06
IUPAC Name5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-2-methoxybenzoic acid
SMILESCCOC(=O)CNS(=O)(=O)c1ccc(OC)c(C(=O)O)c1
InChIInChI=1S/C12H15NO7S/c1-3-20-11(14)7-13-21(17,18)8-4-5-10(19-2)9(6-8)12(15)16/h4-6,13H,3,7H2,1-2H3,(H,15,16)
InChIKeySCDHQMSOTNMIOQ-UHFFFAOYSA-N
XLogP0.23
TPSA119.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
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

5-(4-hydroxybutylsulfamoyl)-2-methoxybenzoic acid
CID 106840452
2-methoxy-5-(prop-2-ynylsulfamoyl)benzoic acid
CID 43323987
2-methoxy-5-(2-methylsulfanylethylsulfamoyl)benzoic acid
CID 43525950
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 3747735
2-methoxy-5-(3,3,3-trifluoropropylsulfamoyl)benzoic acid
CID 63225957
ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate
CID 60817410
ethyl 2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetate
CID 113242602
2-chloro-5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-3-fluorobenzoic acid
CID 81452105
5-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2-methoxybenzoic acid
CID 146133028
methyl 4-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate
CID 60817086
2-methoxy-5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid
CID 60780474
5-(1-hydroxybutan-2-ylsulfamoyl)-2-methoxybenzoic acid
CID 43498968

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-2-methoxybenzoic acid?
The IUPAC name of 5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-2-methoxybenzoic acid (CID 60812376) is 5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-2-methoxybenzoic acid.
What is the SMILES notation for 5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-2-methoxybenzoic acid?
The canonical SMILES for 5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-2-methoxybenzoic acid is CCOC(=O)CNS(=O)(=O)c1ccc(OC)c(C(=O)O)c1.
What is the InChIKey of 5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-2-methoxybenzoic acid?
The InChIKey is SCDHQMSOTNMIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO7S/c1-3-20-11(14)7-13-21(17,18)8-4-5-10(19-2)9(6-8)12(15)16/h4-6,13H,3,7H2,1-2H3,(H,15,16).
What are the key properties of 5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-2-methoxybenzoic acid?
5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-2-methoxybenzoic acid has a molecular weight of 317.32 g/mol, XLogP of 0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-2-methoxybenzoic acid is sourced from PubChem (CID 60812376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).