5-(ethoxysulfamoyl)-2-hydroxybenzoic acid

C9H11NO6S — CID 60700742

IUPAC5-(ethoxysulfamoyl)-2-hydroxybenzoic acid
SMILESCCONS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C9H11NO6S/c1-2-16-10-17(14,15)6-3-4-8(11)7(5-6)9(12)13/h3-5,10-11H,2H2,1H3,(H,12,13)
InChIKeyQRSUMLJLOMSSDB-UHFFFAOYSA-N
MW261.25 g/mol
LogP0.32
Rot. Bonds5

About 5-(ethoxysulfamoyl)-2-hydroxybenzoic acid

5-(ethoxysulfamoyl)-2-hydroxybenzoic acid (PubChem CID 60700742) has the molecular formula C9H11NO6S and a molecular weight of 261.25 g/mol. Its IUPAC name is 5-(ethoxysulfamoyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(ethoxysulfamoyl)-2-hydroxybenzoic acid
PubChem CID60700742
Molecular FormulaC9H11NO6S
Molecular Weight261.25 g/mol
Exact Mass261.03
IUPAC Name5-(ethoxysulfamoyl)-2-hydroxybenzoic acid
SMILESCCONS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C9H11NO6S/c1-2-16-10-17(14,15)6-3-4-8(11)7(5-6)9(12)13/h3-5,10-11H,2H2,1H3,(H,12,13)
InChIKeyQRSUMLJLOMSSDB-UHFFFAOYSA-N
XLogP0.32
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-(2-methoxyethoxysulfamoyl)benzoic acid
CID 82707336
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
5-[[(3-carboxy-4-hydroxyphenyl)sulfonylamino]sulfamoyl]-2-hydroxybenzoic acid
CID 170854611
5-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 25037422
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid
CID 43214507
5-(ethoxysulfamoyl)-2-fluoro-3-methylbenzoic acid
CID 81435615
5-[[4-[(3-carboxy-4-hydroxyphenyl)sulfonylamino]phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 25046771
2-hydroxy-5-(4-methylpentylsulfamoyl)benzoic acid
CID 60744951
5-[1-(dimethylamino)propan-2-ylsulfamoyl]-2-hydroxybenzoic acid
CID 82945005
2-hydroxy-5-(3-propoxypropylsulfamoyl)benzoic acid
CID 82940283
ethane;2-hydroxy-5-sulfobenzoic acid
CID 143907682
5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid
CID 61403327

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxysulfamoyl)-2-hydroxybenzoic acid?
The IUPAC name of 5-(ethoxysulfamoyl)-2-hydroxybenzoic acid (CID 60700742) is 5-(ethoxysulfamoyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(ethoxysulfamoyl)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(ethoxysulfamoyl)-2-hydroxybenzoic acid is CCONS(=O)(=O)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-(ethoxysulfamoyl)-2-hydroxybenzoic acid?
The InChIKey is QRSUMLJLOMSSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO6S/c1-2-16-10-17(14,15)6-3-4-8(11)7(5-6)9(12)13/h3-5,10-11H,2H2,1H3,(H,12,13).
What are the key properties of 5-(ethoxysulfamoyl)-2-hydroxybenzoic acid?
5-(ethoxysulfamoyl)-2-hydroxybenzoic acid has a molecular weight of 261.25 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxysulfamoyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 60700742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).