6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide

C9H12FN3O3S — CID 102685105

IUPAC6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)c1ccc(F)nc1
InChIInChI=1S/C9H12FN3O3S/c1-11-17(15,16)5-4-12-9(14)7-2-3-8(10)13-6-7/h2-3,6,11H,4-5H2,1H3,(H,12,14)
InChIKeyDBUDLHJLFMSURK-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.50
Rot. Bonds5

About 6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide

6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide (PubChem CID 102685105) has the molecular formula C9H12FN3O3S and a molecular weight of 261.28 g/mol. Its IUPAC name is 6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
PubChem CID102685105
Molecular FormulaC9H12FN3O3S
Molecular Weight261.28 g/mol
Exact Mass261.06
IUPAC Name6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)c1ccc(F)nc1
InChIInChI=1S/C9H12FN3O3S/c1-11-17(15,16)5-4-12-9(14)7-2-3-8(10)13-6-7/h2-3,6,11H,4-5H2,1H3,(H,12,14)
InChIKeyDBUDLHJLFMSURK-UHFFFAOYSA-N
XLogP-0.50
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.50
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-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 106342502
4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341777
N-[2-(methylsulfamoyl)ethyl]-4-sulfanylbenzamide
CID 114175650
4-amino-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106332797
N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-3-carboxamide
CID 63977817
N-(2-cyanoethyl)-6-fluoropyridine-3-carboxamide
CID 63978782
N-(4-aminobutyl)-6-fluoropyridine-3-carboxamide
CID 63978211
2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid
CID 175904627
N-[6-(dimethylamino)hexyl]-6-(18F)fluoropyridine-3-carboxamide
CID 154026015
6-fluoro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide
CID 63979376
6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 63980450
6-fluoro-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 63973138

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide (CID 102685105) is 6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide is CNS(=O)(=O)CCNC(=O)c1ccc(F)nc1.
What is the InChIKey of 6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide?
The InChIKey is DBUDLHJLFMSURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O3S/c1-11-17(15,16)5-4-12-9(14)7-2-3-8(10)13-6-7/h2-3,6,11H,4-5H2,1H3,(H,12,14).
What are the key properties of 6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide?
6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 102685105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).