5-[2-ethoxyethyl(ethyl)sulfamoyl]-2-hydroxybenzoic acid

C13H19NO6S — CID 63697925

IUPAC5-[2-ethoxyethyl(ethyl)sulfamoyl]-2-hydroxybenzoic acid
SMILESCCOCCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C13H19NO6S/c1-3-14(7-8-20-4-2)21(18,19)10-5-6-12(15)11(9-10)13(16)17/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyBIAVIVRZYDCHNH-UHFFFAOYSA-N
MW317.36 g/mol
LogP1.14
Rot. Bonds8

About 5-[2-ethoxyethyl(ethyl)sulfamoyl]-2-hydroxybenzoic acid

5-[2-ethoxyethyl(ethyl)sulfamoyl]-2-hydroxybenzoic acid (PubChem CID 63697925) has the molecular formula C13H19NO6S and a molecular weight of 317.36 g/mol. Its IUPAC name is 5-[2-ethoxyethyl(ethyl)sulfamoyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[2-ethoxyethyl(ethyl)sulfamoyl]-2-hydroxybenzoic acid
PubChem CID63697925
Molecular FormulaC13H19NO6S
Molecular Weight317.36 g/mol
Exact Mass317.09
IUPAC Name5-[2-ethoxyethyl(ethyl)sulfamoyl]-2-hydroxybenzoic acid
SMILESCCOCCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C13H19NO6S/c1-3-14(7-8-20-4-2)21(18,19)10-5-6-12(15)11(9-10)13(16)17/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyBIAVIVRZYDCHNH-UHFFFAOYSA-N
XLogP1.14
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[2-ethoxyethyl(ethyl)sulfamoyl]benzoic acid
CID 107090087
5-[ethyl(2-methylpropyl)sulfamoyl]-2-hydroxybenzoic acid
CID 43273626
4-(diethylsulfamoyl)-2-hydroxybenzoic acid
CID 23009711
N-(2-ethoxyethyl)-N-ethyl-4-(1-hydroxyethyl)benzenesulfonamide
CID 63691304
N,N-bis(2-ethoxyethyl)-3-hydroxybenzenesulfonamide
CID 82939428
4-(bromomethyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 65481240
4-[2-ethoxyethyl(ethyl)sulfamoyl]benzenecarbothioamide
CID 63690581
5-[2-ethoxyethyl(ethyl)sulfamoyl]furan-2-carboxylic acid
CID 63698098
N-(2-ethoxyethyl)-N-ethyl-3-fluoro-4-nitrobenzenesulfonamide
CID 82847137
2-hydroxy-5-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid
CID 63983665
5-(ethoxysulfamoyl)-2-hydroxybenzoic acid
CID 60700742
N-(2-ethoxyethyl)-N-ethyl-4-(propylamino)benzenesulfonamide
CID 63692201

Frequently Asked Questions

What is the IUPAC name of 5-[2-ethoxyethyl(ethyl)sulfamoyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[2-ethoxyethyl(ethyl)sulfamoyl]-2-hydroxybenzoic acid (CID 63697925) is 5-[2-ethoxyethyl(ethyl)sulfamoyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[2-ethoxyethyl(ethyl)sulfamoyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[2-ethoxyethyl(ethyl)sulfamoyl]-2-hydroxybenzoic acid is CCOCCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-[2-ethoxyethyl(ethyl)sulfamoyl]-2-hydroxybenzoic acid?
The InChIKey is BIAVIVRZYDCHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO6S/c1-3-14(7-8-20-4-2)21(18,19)10-5-6-12(15)11(9-10)13(16)17/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 5-[2-ethoxyethyl(ethyl)sulfamoyl]-2-hydroxybenzoic acid?
5-[2-ethoxyethyl(ethyl)sulfamoyl]-2-hydroxybenzoic acid has a molecular weight of 317.36 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-ethoxyethyl(ethyl)sulfamoyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 63697925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).