6-(2-pyridin-2-ylethynyl)-2-(2-sulfamoylphenyl)sulfonylpyridine-3-carboxamide

C19H14N4O5S2 — CID 142784607

IUPAC6-(2-pyridin-2-ylethynyl)-2-(2-sulfamoylphenyl)sulfonylpyridine-3-carboxamide
SMILESNC(=O)c1ccc(C#Cc2ccccn2)nc1S(=O)(=O)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C19H14N4O5S2/c20-18(24)15-11-10-14(9-8-13-5-3-4-12-22-13)23-19(15)29(25,26)16-6-1-2-7-17(16)30(21,27)28/h1-7,10-12H,(H2,20,24)(H2,21,27,28)
InChIKeyJUILSZMCWIYBLM-UHFFFAOYSA-N
MW442.48 g/mol
LogP0.46
Rot. Bonds4

About 6-(2-pyridin-2-ylethynyl)-2-(2-sulfamoylphenyl)sulfonylpyridine-3-carboxamide

6-(2-pyridin-2-ylethynyl)-2-(2-sulfamoylphenyl)sulfonylpyridine-3-carboxamide (PubChem CID 142784607) has the molecular formula C19H14N4O5S2 and a molecular weight of 442.48 g/mol. Its IUPAC name is 6-(2-pyridin-2-ylethynyl)-2-(2-sulfamoylphenyl)sulfonylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-pyridin-2-ylethynyl)-2-(2-sulfamoylphenyl)sulfonylpyridine-3-carboxamide
PubChem CID142784607
Molecular FormulaC19H14N4O5S2
Molecular Weight442.48 g/mol
Exact Mass442.04
IUPAC Name6-(2-pyridin-2-ylethynyl)-2-(2-sulfamoylphenyl)sulfonylpyridine-3-carboxamide
SMILESNC(=O)c1ccc(C#Cc2ccccn2)nc1S(=O)(=O)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C19H14N4O5S2/c20-18(24)15-11-10-14(9-8-13-5-3-4-12-22-13)23-19(15)29(25,26)16-6-1-2-7-17(16)30(21,27)28/h1-7,10-12H,(H2,20,24)(H2,21,27,28)
InChIKeyJUILSZMCWIYBLM-UHFFFAOYSA-N
XLogP0.46
TPSA163.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(2-pyridin-2-ylethynyl)-N-(2-sulfamoylphenyl)sulfonylbenzamide
CID 42610407
2-(hydroxymethyl)-4-(2-phenylethynyl)-3-(2-sulfamoylphenyl)sulfonylbenzamide
CID 142784598
6-(2-pyridin-2-ylethynyl)pyridine-2-carbaldehyde
CID 86013338
methyl 2-(2-pyridin-2-ylethynyl)cyclopentene-1-carboxylate
CID 70086378
4-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)sulfonylbenzamide
CID 142784637
3-pyridin-2-ylprop-2-ynyl methanesulfonate
CID 87880685
2-aminobenzenesulfonamide;pyridine
CID 159520045
5-pyridin-2-ylpent-4-ynoic acid
CID 66598382
5-(2-pyridin-2-ylethynyl)thiophene-2-carboxylic acid
CID 59463148
N'-hydroxy-4-(2-pyridin-2-ylethynyl)benzenecarboximidamide
CID 123501344
(2-methyl-4-pyridin-2-ylbut-3-yn-2-yl) acetate
CID 154719080
2-[[4-(2-pyridin-2-ylethynyl)phenyl]sulfonylamino]acetic acid
CID 67588629

Frequently Asked Questions

What is the IUPAC name of 6-(2-pyridin-2-ylethynyl)-2-(2-sulfamoylphenyl)sulfonylpyridine-3-carboxamide?
The IUPAC name of 6-(2-pyridin-2-ylethynyl)-2-(2-sulfamoylphenyl)sulfonylpyridine-3-carboxamide (CID 142784607) is 6-(2-pyridin-2-ylethynyl)-2-(2-sulfamoylphenyl)sulfonylpyridine-3-carboxamide.
What is the SMILES notation for 6-(2-pyridin-2-ylethynyl)-2-(2-sulfamoylphenyl)sulfonylpyridine-3-carboxamide?
The canonical SMILES for 6-(2-pyridin-2-ylethynyl)-2-(2-sulfamoylphenyl)sulfonylpyridine-3-carboxamide is NC(=O)c1ccc(C#Cc2ccccn2)nc1S(=O)(=O)c1ccccc1S(N)(=O)=O.
What is the InChIKey of 6-(2-pyridin-2-ylethynyl)-2-(2-sulfamoylphenyl)sulfonylpyridine-3-carboxamide?
The InChIKey is JUILSZMCWIYBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O5S2/c20-18(24)15-11-10-14(9-8-13-5-3-4-12-22-13)23-19(15)29(25,26)16-6-1-2-7-17(16)30(21,27)28/h1-7,10-12H,(H2,20,24)(H2,21,27,28).
What are the key properties of 6-(2-pyridin-2-ylethynyl)-2-(2-sulfamoylphenyl)sulfonylpyridine-3-carboxamide?
6-(2-pyridin-2-ylethynyl)-2-(2-sulfamoylphenyl)sulfonylpyridine-3-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-pyridin-2-ylethynyl)-2-(2-sulfamoylphenyl)sulfonylpyridine-3-carboxamide is sourced from PubChem (CID 142784607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).