2-hydroxy-5-(2-methoxyethoxysulfamoyl)benzoic acid

C10H13NO7S — CID 82707336

IUPAC2-hydroxy-5-(2-methoxyethoxysulfamoyl)benzoic acid
SMILESCOCCONS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C10H13NO7S/c1-17-4-5-18-11-19(15,16)7-2-3-9(12)8(6-7)10(13)14/h2-3,6,11-12H,4-5H2,1H3,(H,13,14)
InChIKeyDMOAICGCRGBWJA-UHFFFAOYSA-N
MW291.28 g/mol
LogP-0.05
Rot. Bonds7

About 2-hydroxy-5-(2-methoxyethoxysulfamoyl)benzoic acid

2-hydroxy-5-(2-methoxyethoxysulfamoyl)benzoic acid (PubChem CID 82707336) has the molecular formula C10H13NO7S and a molecular weight of 291.28 g/mol. Its IUPAC name is 2-hydroxy-5-(2-methoxyethoxysulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(2-methoxyethoxysulfamoyl)benzoic acid
PubChem CID82707336
Molecular FormulaC10H13NO7S
Molecular Weight291.28 g/mol
Exact Mass291.04
IUPAC Name2-hydroxy-5-(2-methoxyethoxysulfamoyl)benzoic acid
SMILESCOCCONS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C10H13NO7S/c1-17-4-5-18-11-19(15,16)7-2-3-9(12)8(6-7)10(13)14/h2-3,6,11-12H,4-5H2,1H3,(H,13,14)
InChIKeyDMOAICGCRGBWJA-UHFFFAOYSA-N
XLogP-0.05
TPSA122.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(2-methoxyethoxysulfamoyl)benzoic acid
CID 82706672
5-(ethoxysulfamoyl)-2-hydroxybenzoic acid
CID 60700742
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
5-[[(3-carboxy-4-hydroxyphenyl)sulfonylamino]sulfamoyl]-2-hydroxybenzoic acid
CID 170854611
2-hydroxy-5-(4-methylpentylsulfamoyl)benzoic acid
CID 60744951
N-(2-methoxyethoxy)-4-methylsulfonylbenzenesulfonamide
CID 82715379
4-bromo-N-(2-methoxyethoxy)benzenesulfonamide
CID 82714595
5-[[4-[(3-carboxy-4-hydroxyphenyl)sulfonylamino]phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 25046771
2-hydroxy-5-[2-(methylsulfamoyl)ethylsulfamoyl]benzoic acid
CID 106335055
4-(2-methoxyethoxysulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 82706005
5-[1-(dimethylamino)propan-2-ylsulfamoyl]-2-hydroxybenzoic acid
CID 82945005
2-hydroxy-5-(3-propoxypropylsulfamoyl)benzoic acid
CID 82940283

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(2-methoxyethoxysulfamoyl)benzoic acid?
The IUPAC name of 2-hydroxy-5-(2-methoxyethoxysulfamoyl)benzoic acid (CID 82707336) is 2-hydroxy-5-(2-methoxyethoxysulfamoyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(2-methoxyethoxysulfamoyl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(2-methoxyethoxysulfamoyl)benzoic acid is COCCONS(=O)(=O)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-(2-methoxyethoxysulfamoyl)benzoic acid?
The InChIKey is DMOAICGCRGBWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO7S/c1-17-4-5-18-11-19(15,16)7-2-3-9(12)8(6-7)10(13)14/h2-3,6,11-12H,4-5H2,1H3,(H,13,14).
What are the key properties of 2-hydroxy-5-(2-methoxyethoxysulfamoyl)benzoic acid?
2-hydroxy-5-(2-methoxyethoxysulfamoyl)benzoic acid has a molecular weight of 291.28 g/mol, XLogP of -0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(2-methoxyethoxysulfamoyl)benzoic acid is sourced from PubChem (CID 82707336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).