5-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybenzoic acid

C11H13NO7S — CID 61456896

IUPAC5-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybenzoic acid
SMILESCCOC(=O)CS(=O)(=O)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C11H13NO7S/c1-2-19-10(14)6-20(17,18)12-7-3-4-9(13)8(5-7)11(15)16/h3-5,12-13H,2,6H2,1H3,(H,15,16)
InChIKeyYZGAKVFMIYDCOQ-UHFFFAOYSA-N
MW303.29 g/mol
LogP0.40
Rot. Bonds6

About 5-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybenzoic acid

5-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybenzoic acid (PubChem CID 61456896) has the molecular formula C11H13NO7S and a molecular weight of 303.29 g/mol. Its IUPAC name is 5-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybenzoic acid
PubChem CID61456896
Molecular FormulaC11H13NO7S
Molecular Weight303.29 g/mol
Exact Mass303.04
IUPAC Name5-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybenzoic acid
SMILESCCOC(=O)CS(=O)(=O)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C11H13NO7S/c1-2-19-10(14)6-20(17,18)12-7-3-4-9(13)8(5-7)11(15)16/h3-5,12-13H,2,6H2,1H3,(H,15,16)
InChIKeyYZGAKVFMIYDCOQ-UHFFFAOYSA-N
XLogP0.40
TPSA130.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-ethoxy-3-oxopropyl)sulfonylamino]-2-methylbenzoic acid
CID 63653859
ethyl 2-[(3-amino-4-bromophenyl)sulfamoyl]acetate
CID 79767666
2-fluoro-5-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 61359529
ethyl 2-[(4-amino-3-bromophenyl)sulfamoyl]acetate
CID 82861891
ethyl 2-[(3-bromo-4-fluorophenyl)sulfamoyl]acetate
CID 113452283
ethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate
CID 54952211
2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-4-fluorobenzoic acid
CID 61456671
4-chloro-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 61457059
6-[(2-ethoxy-2-oxoethyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61456601
ethyl 2-[[4-amino-3-(trifluoromethyl)phenyl]sulfamoyl]acetate
CID 61456594
5-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 25037422
ethyl 2-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfamoyl)acetate
CID 63900518

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybenzoic acid (CID 61456896) is 5-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybenzoic acid is CCOC(=O)CS(=O)(=O)Nc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybenzoic acid?
The InChIKey is YZGAKVFMIYDCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO7S/c1-2-19-10(14)6-20(17,18)12-7-3-4-9(13)8(5-7)11(15)16/h3-5,12-13H,2,6H2,1H3,(H,15,16).
What are the key properties of 5-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybenzoic acid?
5-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybenzoic acid has a molecular weight of 303.29 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 61456896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).