5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid

C11H14N2O6S — CID 43214507

IUPAC5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid
SMILESCN(C)C(=O)CNS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C11H14N2O6S/c1-13(2)10(15)6-12-20(18,19)7-3-4-9(14)8(5-7)11(16)17/h3-5,12,14H,6H2,1-2H3,(H,16,17)
InChIKeyLLTYHVMFKOQSBN-UHFFFAOYSA-N
MW302.31 g/mol
LogP-0.54
Rot. Bonds5

About 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid

5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid (PubChem CID 43214507) has the molecular formula C11H14N2O6S and a molecular weight of 302.31 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid
PubChem CID43214507
Molecular FormulaC11H14N2O6S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Name5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid
SMILESCN(C)C(=O)CNS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C11H14N2O6S/c1-13(2)10(15)6-12-20(18,19)7-3-4-9(14)8(5-7)11(16)17/h3-5,12,14H,6H2,1-2H3,(H,16,17)
InChIKeyLLTYHVMFKOQSBN-UHFFFAOYSA-N
XLogP-0.54
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 107089911
5-(2-bromoprop-2-enylsulfamoyl)-2-hydroxybenzoic acid
CID 113464976
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid
CID 61403327
5-[[(3-carboxy-4-hydroxyphenyl)sulfonylamino]sulfamoyl]-2-hydroxybenzoic acid
CID 170854611
5-(ethoxysulfamoyl)-2-hydroxybenzoic acid
CID 60700742
2-hydroxy-5-(pent-3-ynylsulfamoyl)benzoic acid
CID 116642717
2-hydroxy-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid
CID 61019383
2-hydroxy-5-[2-(methylsulfamoyl)ethylsulfamoyl]benzoic acid
CID 106335055
5-[1-(dimethylamino)propan-2-ylsulfamoyl]-2-hydroxybenzoic acid
CID 82945005
2-hydroxy-5-(4-methylpentylsulfamoyl)benzoic acid
CID 60744951
5-[[4-[(3-carboxy-4-hydroxyphenyl)sulfonylamino]phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 25046771

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid (CID 43214507) is 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid is CN(C)C(=O)CNS(=O)(=O)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid?
The InChIKey is LLTYHVMFKOQSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6S/c1-13(2)10(15)6-12-20(18,19)7-3-4-9(14)8(5-7)11(16)17/h3-5,12,14H,6H2,1-2H3,(H,16,17).
What are the key properties of 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid?
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid has a molecular weight of 302.31 g/mol, XLogP of -0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 43214507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).