N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide

C13H13N3O3S — CID 701247

IUPACN-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1
InChIInChI=1S/C13H13N3O3S/c1-14-20(18,19)11-7-5-10(6-8-11)16-13(17)12-4-2-3-9-15-12/h2-9,14H,1H3,(H,16,17)
InChIKeyXFPJVWJBZOHHRH-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.24
Rot. Bonds4

About N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide

N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide (PubChem CID 701247) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide
PubChem CID701247
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1
InChIInChI=1S/C13H13N3O3S/c1-14-20(18,19)11-7-5-10(6-8-11)16-13(17)12-4-2-3-9-15-12/h2-9,14H,1H3,(H,16,17)
InChIKeyXFPJVWJBZOHHRH-UHFFFAOYSA-N
XLogP1.24
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide (CID 701247) is N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide is CNS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide?
The InChIKey is XFPJVWJBZOHHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-14-20(18,19)11-7-5-10(6-8-11)16-13(17)12-4-2-3-9-15-12/h2-9,14H,1H3,(H,16,17).
What are the key properties of N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide?
N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 701247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).