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

C13H12FN3O3S — CID 115497288

IUPAC6-fluoro-N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)c2cccc(F)n2)cc1
InChIInChI=1S/C13H12FN3O3S/c1-15-21(19,20)10-7-5-9(6-8-10)16-13(18)11-3-2-4-12(14)17-11/h2-8,15H,1H3,(H,16,18)
InChIKeyHNMFJSUPPUSYCQ-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.38
Rot. Bonds4

About 6-fluoro-N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide

6-fluoro-N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide (PubChem CID 115497288) has the molecular formula C13H12FN3O3S and a molecular weight of 309.32 g/mol. Its IUPAC name is 6-fluoro-N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide
PubChem CID115497288
Molecular FormulaC13H12FN3O3S
Molecular Weight309.32 g/mol
Exact Mass309.06
IUPAC Name6-fluoro-N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)c2cccc(F)n2)cc1
InChIInChI=1S/C13H12FN3O3S/c1-15-21(19,20)10-7-5-9(6-8-10)16-13(18)11-3-2-4-12(14)17-11/h2-8,15H,1H3,(H,16,18)
InChIKeyHNMFJSUPPUSYCQ-UHFFFAOYSA-N
XLogP1.38
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-N-[4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 115497027
6-fluoro-N-[4-(propanoylamino)phenyl]pyridine-2-carboxamide
CID 115497261
N-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide
CID 115496681
2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4054283
6-fluoro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 115497260
N-[4-(methylsulfamoyl)phenyl]-2H-triazole-4-carboxamide
CID 78969284
6-fluoro-N-(4-propoxyphenyl)pyridine-2-carboxamide
CID 115497769
N-(3-chlorophenyl)-4-(methylsulfamoyl)benzamide
CID 34742954
6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-2-carboxamide
CID 102685114
N-(4-acetamido-3-methylphenyl)-6-fluoropyridine-2-carboxamide
CID 115497151
3-amino-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 43710565
3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219664

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide (CID 115497288) is 6-fluoro-N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide is CNS(=O)(=O)c1ccc(NC(=O)c2cccc(F)n2)cc1.
What is the InChIKey of 6-fluoro-N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide?
The InChIKey is HNMFJSUPPUSYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3S/c1-15-21(19,20)10-7-5-9(6-8-10)16-13(18)11-3-2-4-12(14)17-11/h2-8,15H,1H3,(H,16,18).
What are the key properties of 6-fluoro-N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide?
6-fluoro-N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 115497288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).