[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] pyridine-2-carboxylate

C16H17N3O5S — CID 3640556

IUPAC[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] pyridine-2-carboxylate
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccccn2)cc1
InChIInChI=1S/C16H17N3O5S/c1-19(2)25(22,23)13-8-6-12(7-9-13)18-15(20)11-24-16(21)14-5-3-4-10-17-14/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyKHIMQLXXMNFGBY-UHFFFAOYSA-N
MW363.40 g/mol
LogP1.13
Rot. Bonds6

About [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] pyridine-2-carboxylate

[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 3640556) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] pyridine-2-carboxylate
PubChem CID3640556
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] pyridine-2-carboxylate
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccccn2)cc1
InChIInChI=1S/C16H17N3O5S/c1-19(2)25(22,23)13-8-6-12(7-9-13)18-15(20)11-24-16(21)14-5-3-4-10-17-14/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyKHIMQLXXMNFGBY-UHFFFAOYSA-N
XLogP1.13
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-Oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2424890
[2-(4-Acetamidoanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2357468
[2-(3-Methylsulfanylanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2684867
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 4847822
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 7987303
Pyridine-2-carboxylic acid cyclohexylcarbamoylmethyl ester
CID 1088735
[2-(2-Methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2352062
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 3485661
[2-[3-(Dimethylsulfamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 4780076
[2-[(1-Methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate
CID 4840590
[2-(2,6-Dichloro-4-sulfamoylanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 7776477
Pyridine-2-carboxylic acid m-tolylcarbamoyl-methyl ester
CID 1088745

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] pyridine-2-carboxylate (CID 3640556) is [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] pyridine-2-carboxylate is CN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccccn2)cc1.
What is the InChIKey of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is KHIMQLXXMNFGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-19(2)25(22,23)13-8-6-12(7-9-13)18-15(20)11-24-16(21)14-5-3-4-10-17-14/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] pyridine-2-carboxylate?
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 363.40 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 3640556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).