2,3-difluoro-N-(2-sulfamoylethyl)pyridine-4-carboxamide

C8H9F2N3O3S — CID 105380386

IUPAC2,3-difluoro-N-(2-sulfamoylethyl)pyridine-4-carboxamide
SMILESNS(=O)(=O)CCNC(=O)c1ccnc(F)c1F
InChIInChI=1S/C8H9F2N3O3S/c9-6-5(1-2-12-7(6)10)8(14)13-3-4-17(11,15)16/h1-2H,3-4H2,(H,13,14)(H2,11,15,16)
InChIKeyINSYMTXCCONTHJ-UHFFFAOYSA-N
MW265.24 g/mol
LogP-0.62
Rot. Bonds4

About 2,3-difluoro-N-(2-sulfamoylethyl)pyridine-4-carboxamide

2,3-difluoro-N-(2-sulfamoylethyl)pyridine-4-carboxamide (PubChem CID 105380386) has the molecular formula C8H9F2N3O3S and a molecular weight of 265.24 g/mol. Its IUPAC name is 2,3-difluoro-N-(2-sulfamoylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-(2-sulfamoylethyl)pyridine-4-carboxamide
PubChem CID105380386
Molecular FormulaC8H9F2N3O3S
Molecular Weight265.24 g/mol
Exact Mass265.03
IUPAC Name2,3-difluoro-N-(2-sulfamoylethyl)pyridine-4-carboxamide
SMILESNS(=O)(=O)CCNC(=O)c1ccnc(F)c1F
InChIInChI=1S/C8H9F2N3O3S/c9-6-5(1-2-12-7(6)10)8(14)13-3-4-17(11,15)16/h1-2H,3-4H2,(H,13,14)(H2,11,15,16)
InChIKeyINSYMTXCCONTHJ-UHFFFAOYSA-N
XLogP-0.62
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 5-0.62
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

2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 105380583
3-fluoro-2-hydrazinyl-N-(3-sulfamoylpropyl)pyridine-4-carboxamide
CID 105387918
N-(2-acetamidoethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380387
2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 105380129
2,3-difluoro-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 105381305
2,3-difluoro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 105381092
2-amino-3-fluoro-N-(3-methylsulfonylpropyl)pyridine-4-carboxamide
CID 105385347
2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide
CID 105380997
N-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381247
2,3-difluoro-N-(3-methylsulfinylbutyl)pyridine-4-carboxamide
CID 105381610
2,3-difluoro-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 107470719
2,3-difluoro-N-(2-prop-2-ynylsulfanylethyl)pyridine-4-carboxamide
CID 107470805

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(2-sulfamoylethyl)pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-(2-sulfamoylethyl)pyridine-4-carboxamide (CID 105380386) is 2,3-difluoro-N-(2-sulfamoylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-(2-sulfamoylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-(2-sulfamoylethyl)pyridine-4-carboxamide is NS(=O)(=O)CCNC(=O)c1ccnc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(2-sulfamoylethyl)pyridine-4-carboxamide?
The InChIKey is INSYMTXCCONTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O3S/c9-6-5(1-2-12-7(6)10)8(14)13-3-4-17(11,15)16/h1-2H,3-4H2,(H,13,14)(H2,11,15,16).
What are the key properties of 2,3-difluoro-N-(2-sulfamoylethyl)pyridine-4-carboxamide?
2,3-difluoro-N-(2-sulfamoylethyl)pyridine-4-carboxamide has a molecular weight of 265.24 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(2-sulfamoylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 105380386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).