4-(diethylsulfamoyl)-2-hydroxybenzoic acid

C11H15NO5S — CID 23009711

IUPAC4-(diethylsulfamoyl)-2-hydroxybenzoic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C11H15NO5S/c1-3-12(4-2)18(16,17)8-5-6-9(11(14)15)10(13)7-8/h5-7,13H,3-4H2,1-2H3,(H,14,15)
InChIKeyCFJSRJOVKSGDTM-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.12
Rot. Bonds5

About 4-(diethylsulfamoyl)-2-hydroxybenzoic acid

4-(diethylsulfamoyl)-2-hydroxybenzoic acid (PubChem CID 23009711) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-2-hydroxybenzoic acid
PubChem CID23009711
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name4-(diethylsulfamoyl)-2-hydroxybenzoic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C11H15NO5S/c1-3-12(4-2)18(16,17)8-5-6-9(11(14)15)10(13)7-8/h5-7,13H,3-4H2,1-2H3,(H,14,15)
InChIKeyCFJSRJOVKSGDTM-UHFFFAOYSA-N
XLogP1.12
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[ethyl(2-methylpropyl)sulfamoyl]-2-hydroxybenzoic acid
CID 43273626
5-[2-ethoxyethyl(ethyl)sulfamoyl]-2-hydroxybenzoic acid
CID 63697925
2-chloro-4-[ethyl(2-methylprop-2-enyl)sulfamoyl]benzoic acid
CID 104654355
2-chloro-4-[ethyl(prop-2-ynyl)sulfamoyl]benzoic acid
CID 107090209
2-chloro-5-[2,2-dichloroethyl(ethyl)sulfamoyl]benzoic acid
CID 70536672
5-(diethylsulfamoyl)-1-methylindole-3-carboxylic acid
CID 663444
2-chloro-4-[2-ethoxyethyl(ethyl)sulfamoyl]benzoic acid
CID 107090087
5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid
CID 103101599
5-[ethyl(2-methylpropyl)sulfamoyl]-2-fluorobenzoic acid
CID 43273627
2-hydroxy-4-[methyl-[2-methyl-2-(4-methylphenyl)propyl]sulfamoyl]benzoic acid
CID 167912099
2-chloro-5-(diethylsulfamoyl)benzoate
CID 4206054
2-bromo-5-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid
CID 63954323

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-2-hydroxybenzoic acid?
The IUPAC name of 4-(diethylsulfamoyl)-2-hydroxybenzoic acid (CID 23009711) is 4-(diethylsulfamoyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(diethylsulfamoyl)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(diethylsulfamoyl)-2-hydroxybenzoic acid is CCN(CC)S(=O)(=O)c1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-(diethylsulfamoyl)-2-hydroxybenzoic acid?
The InChIKey is CFJSRJOVKSGDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-3-12(4-2)18(16,17)8-5-6-9(11(14)15)10(13)7-8/h5-7,13H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 4-(diethylsulfamoyl)-2-hydroxybenzoic acid?
4-(diethylsulfamoyl)-2-hydroxybenzoic acid has a molecular weight of 273.31 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 23009711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).