3-[2-(2-hydroxyethoxy)ethylsulfamoyl]benzoic acid

C11H15NO6S — CID 62499277

IUPAC3-[2-(2-hydroxyethoxy)ethylsulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)NCCOCCO)c1
InChIInChI=1S/C11H15NO6S/c13-5-7-18-6-4-12-19(16,17)10-3-1-2-9(8-10)11(14)15/h1-3,8,12-13H,4-7H2,(H,14,15)
InChIKeyJHWPJWXQHVZLEO-UHFFFAOYSA-N
MW289.31 g/mol
LogP-0.33
Rot. Bonds8

About 3-[2-(2-hydroxyethoxy)ethylsulfamoyl]benzoic acid

3-[2-(2-hydroxyethoxy)ethylsulfamoyl]benzoic acid (PubChem CID 62499277) has the molecular formula C11H15NO6S and a molecular weight of 289.31 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethoxy)ethylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[2-(2-hydroxyethoxy)ethylsulfamoyl]benzoic acid
PubChem CID62499277
Molecular FormulaC11H15NO6S
Molecular Weight289.31 g/mol
Exact Mass289.06
IUPAC Name3-[2-(2-hydroxyethoxy)ethylsulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)NCCOCCO)c1
InChIInChI=1S/C11H15NO6S/c13-5-7-18-6-4-12-19(16,17)10-3-1-2-9(8-10)11(14)15/h1-3,8,12-13H,4-7H2,(H,14,15)
InChIKeyJHWPJWXQHVZLEO-UHFFFAOYSA-N
XLogP-0.33
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-hydroxyethoxy)propylsulfamoyl]benzoic acid
CID 106305240
3-(2-but-3-enoxyethylsulfamoyl)benzoic acid
CID 106395309
3-(2-carbamoyloxyethylsulfamoyl)benzoic acid
CID 83202394
3-N-[2-(2-hydroxyethoxy)ethyl]benzene-1,3-disulfonamide
CID 62497976
3-(propylsulfamoyl)benzoic acid
CID 2442822
benzene-1,3-dicarboxylic acid;2-(2-hydroxyethoxy)ethanol;5-sulfobenzene-1,3-dicarboxylic acid;terephthalic acid
CID 173396773
3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide
CID 43591526
3-(2-pyrrol-1-ylethylsulfamoyl)benzoic acid
CID 106390643
methyl 3-(2-phenoxyethylsulfamoyl)benzoate
CID 35609145
2-[2-[(3-carbamothioylphenyl)sulfonylamino]ethoxy]acetamide
CID 106237183
3-(2-hydroxyethylsulfamoyl)benzamide
CID 69287741
2-(benzenesulfonamido)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 62499250

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethoxy)ethylsulfamoyl]benzoic acid?
The IUPAC name of 3-[2-(2-hydroxyethoxy)ethylsulfamoyl]benzoic acid (CID 62499277) is 3-[2-(2-hydroxyethoxy)ethylsulfamoyl]benzoic acid.
What is the SMILES notation for 3-[2-(2-hydroxyethoxy)ethylsulfamoyl]benzoic acid?
The canonical SMILES for 3-[2-(2-hydroxyethoxy)ethylsulfamoyl]benzoic acid is O=C(O)c1cccc(S(=O)(=O)NCCOCCO)c1.
What is the InChIKey of 3-[2-(2-hydroxyethoxy)ethylsulfamoyl]benzoic acid?
The InChIKey is JHWPJWXQHVZLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6S/c13-5-7-18-6-4-12-19(16,17)10-3-1-2-9(8-10)11(14)15/h1-3,8,12-13H,4-7H2,(H,14,15).
What are the key properties of 3-[2-(2-hydroxyethoxy)ethylsulfamoyl]benzoic acid?
3-[2-(2-hydroxyethoxy)ethylsulfamoyl]benzoic acid has a molecular weight of 289.31 g/mol, XLogP of -0.33, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethoxy)ethylsulfamoyl]benzoic acid is sourced from PubChem (CID 62499277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).