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

C9H12FN3O3S — CID 102685114

IUPAC6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-2-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)c1cccc(F)n1
InChIInChI=1S/C9H12FN3O3S/c1-11-17(15,16)6-5-12-9(14)7-3-2-4-8(10)13-7/h2-4,11H,5-6H2,1H3,(H,12,14)
InChIKeyHNVZGRQZBSXIOF-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.50
Rot. Bonds5

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

6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-2-carboxamide (PubChem CID 102685114) 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-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-2-carboxamide
PubChem CID102685114
Molecular FormulaC9H12FN3O3S
Molecular Weight261.28 g/mol
Exact Mass261.06
IUPAC Name6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-2-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)c1cccc(F)n1
InChIInChI=1S/C9H12FN3O3S/c1-11-17(15,16)6-5-12-9(14)7-3-2-4-8(10)13-7/h2-4,11H,5-6H2,1H3,(H,12,14)
InChIKeyHNVZGRQZBSXIOF-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-2-carboxamide
CID 106342479
6-amino-N-[2-(methylsulfamoyl)ethyl]pyridine-2-carboxamide
CID 106342484
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
6-fluoro-N-pent-3-ynylpyridine-2-carboxamide
CID 104581025
N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide
CID 115497535
N-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide
CID 115496571
N-[3-(dimethylamino)-3-oxopropyl]-6-fluoropyridine-2-carboxamide
CID 115496952
6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 115496649
2-[(6-fluoropyridine-2-carbonyl)amino]acetic acid
CID 115496286
6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 102685105
7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid
CID 113323237
5-[(6-fluoropyridine-2-carbonyl)amino]-2-methylpentanoic acid
CID 104682180

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-2-carboxamide (CID 102685114) is 6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-2-carboxamide is CNS(=O)(=O)CCNC(=O)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-2-carboxamide?
The InChIKey is HNVZGRQZBSXIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O3S/c1-11-17(15,16)6-5-12-9(14)7-3-2-4-8(10)13-7/h2-4,11H,5-6H2,1H3,(H,12,14).
What are the key properties of 6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-2-carboxamide?
6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-2-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-2-carboxamide is sourced from PubChem (CID 102685114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).