2-hydroxy-5-(3-propoxypropylsulfamoyl)benzoic acid

C13H19NO6S — CID 82940283

IUPAC2-hydroxy-5-(3-propoxypropylsulfamoyl)benzoic acid
SMILESCCCOCCCNS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C13H19NO6S/c1-2-7-20-8-3-6-14-21(18,19)10-4-5-12(15)11(9-10)13(16)17/h4-5,9,14-15H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyJDWIIWOJXSLYJM-UHFFFAOYSA-N
MW317.36 g/mol
LogP1.19
Rot. Bonds9

About 2-hydroxy-5-(3-propoxypropylsulfamoyl)benzoic acid

2-hydroxy-5-(3-propoxypropylsulfamoyl)benzoic acid (PubChem CID 82940283) has the molecular formula C13H19NO6S and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-hydroxy-5-(3-propoxypropylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(3-propoxypropylsulfamoyl)benzoic acid
PubChem CID82940283
Molecular FormulaC13H19NO6S
Molecular Weight317.36 g/mol
Exact Mass317.09
IUPAC Name2-hydroxy-5-(3-propoxypropylsulfamoyl)benzoic acid
SMILESCCCOCCCNS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C13H19NO6S/c1-2-7-20-8-3-6-14-21(18,19)10-4-5-12(15)11(9-10)13(16)17/h4-5,9,14-15H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyJDWIIWOJXSLYJM-UHFFFAOYSA-N
XLogP1.19
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 51.19
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

2-iodo-5-(3-propoxypropylsulfamoyl)benzoic acid
CID 103962665
3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide
CID 82941344
2-hydroxy-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid
CID 61019383
2-hydroxy-5-(4-methylpentylsulfamoyl)benzoic acid
CID 60744951
N-[2-chloro-4-(3-propoxypropylsulfamoyl)phenyl]acetamide
CID 3870575
5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid
CID 61403327
2-hydroxy-5-[2-(methylsulfamoyl)ethylsulfamoyl]benzoic acid
CID 106335055
2-hydroxy-5-(pent-3-ynylsulfamoyl)benzoic acid
CID 116642717
N-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide
CID 3728268
2-methyl-3-(3-propoxypropylsulfamoyl)benzoic acid
CID 82941000
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
5-(decylsulfamoyl)-2-methylbenzoic acid
CID 100820311

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(3-propoxypropylsulfamoyl)benzoic acid?
The IUPAC name of 2-hydroxy-5-(3-propoxypropylsulfamoyl)benzoic acid (CID 82940283) is 2-hydroxy-5-(3-propoxypropylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(3-propoxypropylsulfamoyl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(3-propoxypropylsulfamoyl)benzoic acid is CCCOCCCNS(=O)(=O)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-(3-propoxypropylsulfamoyl)benzoic acid?
The InChIKey is JDWIIWOJXSLYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO6S/c1-2-7-20-8-3-6-14-21(18,19)10-4-5-12(15)11(9-10)13(16)17/h4-5,9,14-15H,2-3,6-8H2,1H3,(H,16,17).
What are the key properties of 2-hydroxy-5-(3-propoxypropylsulfamoyl)benzoic acid?
2-hydroxy-5-(3-propoxypropylsulfamoyl)benzoic acid has a molecular weight of 317.36 g/mol, XLogP of 1.19, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(3-propoxypropylsulfamoyl)benzoic acid is sourced from PubChem (CID 82940283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).