N-(2-ethylsulfonylethyl)-2-fluoropyridine-3-carboxamide

C10H13FN2O3S — CID 107358822

IUPACN-(2-ethylsulfonylethyl)-2-fluoropyridine-3-carboxamide
SMILESCCS(=O)(=O)CCNC(=O)c1cccnc1F
InChIInChI=1S/C10H13FN2O3S/c1-2-17(15,16)7-6-13-10(14)8-4-3-5-12-9(8)11/h3-5H,2,6-7H2,1H3,(H,13,14)
InChIKeyBEPGIBXJMMZQQO-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.39
Rot. Bonds5

About N-(2-ethylsulfonylethyl)-2-fluoropyridine-3-carboxamide

N-(2-ethylsulfonylethyl)-2-fluoropyridine-3-carboxamide (PubChem CID 107358822) has the molecular formula C10H13FN2O3S and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-2-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-2-fluoropyridine-3-carboxamide
PubChem CID107358822
Molecular FormulaC10H13FN2O3S
Molecular Weight260.29 g/mol
Exact Mass260.06
IUPAC NameN-(2-ethylsulfonylethyl)-2-fluoropyridine-3-carboxamide
SMILESCCS(=O)(=O)CCNC(=O)c1cccnc1F
InChIInChI=1S/C10H13FN2O3S/c1-2-17(15,16)7-6-13-10(14)8-4-3-5-12-9(8)11/h3-5H,2,6-7H2,1H3,(H,13,14)
InChIKeyBEPGIBXJMMZQQO-UHFFFAOYSA-N
XLogP0.39
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(4-methoxybutyl)pyridine-3-carboxamide
CID 107358712
6-[(2-fluoropyridine-3-carbonyl)amino]hexanoic acid
CID 114037457
2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 107358720
2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 107362791
2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
CID 47230711
2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 107358352
2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 107358475
2-[2-(methylsulfamoyl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106334730
N-[(1-ethylimidazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide
CID 154879514
2-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 83404912
N-tert-butyl-2-fluoropyridine-3-carboxamide
CID 83405548
2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 107358424

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-2-fluoropyridine-3-carboxamide?
The IUPAC name of N-(2-ethylsulfonylethyl)-2-fluoropyridine-3-carboxamide (CID 107358822) is N-(2-ethylsulfonylethyl)-2-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-2-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(2-ethylsulfonylethyl)-2-fluoropyridine-3-carboxamide is CCS(=O)(=O)CCNC(=O)c1cccnc1F.
What is the InChIKey of N-(2-ethylsulfonylethyl)-2-fluoropyridine-3-carboxamide?
The InChIKey is BEPGIBXJMMZQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3S/c1-2-17(15,16)7-6-13-10(14)8-4-3-5-12-9(8)11/h3-5H,2,6-7H2,1H3,(H,13,14).
What are the key properties of N-(2-ethylsulfonylethyl)-2-fluoropyridine-3-carboxamide?
N-(2-ethylsulfonylethyl)-2-fluoropyridine-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-2-fluoropyridine-3-carboxamide is sourced from PubChem (CID 107358822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).