2-[[5-(dimethylsulfamoyl)-2-pyridinyl]oxy]acetic acid

C9H12N2O5S — CID 103341256

IUPAC2-[[5-(dimethylsulfamoyl)-2-pyridinyl]oxy]acetic acid
SMILESCN(C)S(=O)(=O)c1ccc(OCC(=O)O)nc1
InChIInChI=1S/C9H12N2O5S/c1-11(2)17(14,15)7-3-4-8(10-5-7)16-6-9(12)13/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyDWTMOAUGNFTILF-UHFFFAOYSA-N
MW260.27 g/mol
LogP-0.20
Rot. Bonds5

About 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]oxy]acetic acid

2-[[5-(dimethylsulfamoyl)-2-pyridinyl]oxy]acetic acid (PubChem CID 103341256) has the molecular formula C9H12N2O5S and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[5-(dimethylsulfamoyl)-2-pyridinyl]oxy]acetic acid
PubChem CID103341256
Molecular FormulaC9H12N2O5S
Molecular Weight260.27 g/mol
Exact Mass260.05
IUPAC Name2-[[5-(dimethylsulfamoyl)-2-pyridinyl]oxy]acetic acid
SMILESCN(C)S(=O)(=O)c1ccc(OCC(=O)O)nc1
InChIInChI=1S/C9H12N2O5S/c1-11(2)17(14,15)7-3-4-8(10-5-7)16-6-9(12)13/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyDWTMOAUGNFTILF-UHFFFAOYSA-N
XLogP-0.20
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid
CID 103340909
N,N-dimethyl-6-[2-(propylamino)ethoxy]pyridine-3-sulfonamide
CID 103341282
2-[(5-methoxy-2-pyridinyl)oxy]acetic acid
CID 106504767
2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid
CID 166242068
3-[(6-methoxy-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 122072863
6-ethoxy-N-methyl-N-propylpyridine-3-sulfonamide
CID 75452721
3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 103340902
6-(cyanomethyl)-N,N-dimethylpyridine-3-sulfonamide
CID 103341340
5-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 103340904
1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 103340811
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylacetamide
CID 104925729
2-[6-(dimethylamino)pyridazin-3-yl]oxyacetic acid
CID 121205048

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]oxy]acetic acid?
The IUPAC name of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]oxy]acetic acid (CID 103341256) is 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]oxy]acetic acid.
What is the SMILES notation for 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]oxy]acetic acid?
The canonical SMILES for 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]oxy]acetic acid is CN(C)S(=O)(=O)c1ccc(OCC(=O)O)nc1.
What is the InChIKey of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]oxy]acetic acid?
The InChIKey is DWTMOAUGNFTILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5S/c1-11(2)17(14,15)7-3-4-8(10-5-7)16-6-9(12)13/h3-5H,6H2,1-2H3,(H,12,13).
What are the key properties of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]oxy]acetic acid?
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]oxy]acetic acid has a molecular weight of 260.27 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]oxy]acetic acid is sourced from PubChem (CID 103341256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).