N-[3-(dimethylsulfamoyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide

C15H17N3O5S — CID 9354824

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)COc2cccc[n+]2[O-])c1
InChIInChI=1S/C15H17N3O5S/c1-17(2)24(21,22)13-7-5-6-12(10-13)16-14(19)11-23-15-8-3-4-9-18(15)20/h3-10H,11H2,1-2H3,(H,16,19)
InChIKeyMCJNWDGOLBOXLX-UHFFFAOYSA-N
MW351.38 g/mol
LogP0.59
Rot. Bonds6

About N-[3-(dimethylsulfamoyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide

N-[3-(dimethylsulfamoyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide (PubChem CID 9354824) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
PubChem CID9354824
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)COc2cccc[n+]2[O-])c1
InChIInChI=1S/C15H17N3O5S/c1-17(2)24(21,22)13-7-5-6-12(10-13)16-14(19)11-23-15-8-3-4-9-18(15)20/h3-10H,11H2,1-2H3,(H,16,19)
InChIKeyMCJNWDGOLBOXLX-UHFFFAOYSA-N
XLogP0.59
TPSA102.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4797644
2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7847691
2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7713817
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-propoxyphenoxy)acetamide
CID 8961619
2-(3,5-dichlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7848506
2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4798692
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-iodophenoxy)acetamide
CID 35986913
2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4797677
N-[3-(dimethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 7705824
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-prop-2-enylphenoxy)acetamide
CID 7707136
2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4884299
N-(2,3-dihydro-1H-inden-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
CID 9354899

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide (CID 9354824) is N-[3-(dimethylsulfamoyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)COc2cccc[n+]2[O-])c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide?
The InChIKey is MCJNWDGOLBOXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c1-17(2)24(21,22)13-7-5-6-12(10-13)16-14(19)11-23-15-8-3-4-9-18(15)20/h3-10H,11H2,1-2H3,(H,16,19).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide?
N-[3-(dimethylsulfamoyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide has a molecular weight of 351.38 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide is sourced from PubChem (CID 9354824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).