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

C11H15NO5S — CID 14490063

IUPAC2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
SMILESCC(C)CNS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C11H15NO5S/c1-7(2)6-12-18(16,17)8-3-4-10(13)9(5-8)11(14)15/h3-5,7,12-13H,6H2,1-2H3,(H,14,15)
InChIKeyJMUBZHLOVLMMFU-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.02
Rot. Bonds5

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

2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid (PubChem CID 14490063) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
PubChem CID14490063
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
SMILESCC(C)CNS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C11H15NO5S/c1-7(2)6-12-18(16,17)8-3-4-10(13)9(5-8)11(14)15/h3-5,7,12-13H,6H2,1-2H3,(H,14,15)
InChIKeyJMUBZHLOVLMMFU-UHFFFAOYSA-N
XLogP1.02
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-5-(4-methylpentylsulfamoyl)benzoic acid
CID 60744951
5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-hydroxybenzoic acid
CID 106168283
2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid
CID 113437740
2-[[(2R)-butan-2-yl]amino]-5-(2-methylpropylsulfamoyl)benzoic acid
CID 99982018
5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid
CID 61403327
5-[[(3-carboxy-4-hydroxyphenyl)sulfonylamino]sulfamoyl]-2-hydroxybenzoic acid
CID 170854611
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid
CID 43214507
4-(2-methylpropylsulfamoyl)benzoic acid
CID 611819
5-[[4-[(3-carboxy-4-hydroxyphenyl)sulfonylamino]phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 25046771
5-(ethoxysulfamoyl)-2-hydroxybenzoic acid
CID 60700742
2-hydroxy-5-(pent-3-ynylsulfamoyl)benzoic acid
CID 116642717
2-hydroxy-5-[2-(methylsulfamoyl)ethylsulfamoyl]benzoic acid
CID 106335055

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid?
The IUPAC name of 2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid (CID 14490063) is 2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid is CC(C)CNS(=O)(=O)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid?
The InChIKey is JMUBZHLOVLMMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-7(2)6-12-18(16,17)8-3-4-10(13)9(5-8)11(14)15/h3-5,7,12-13H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid?
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid has a molecular weight of 273.31 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid is sourced from PubChem (CID 14490063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).