N-(2,6-difluoro-3-pyridinyl)-2-ethoxyethanesulfonamide

C9H12F2N2O3S — CID 103098115

IUPACN-(2,6-difluoro-3-pyridinyl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C9H12F2N2O3S/c1-2-16-5-6-17(14,15)13-7-3-4-8(10)12-9(7)11/h3-4,13H,2,5-6H2,1H3
InChIKeyLZJOKWHMUMCZLF-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.14
Rot. Bonds6

About N-(2,6-difluoro-3-pyridinyl)-2-ethoxyethanesulfonamide

N-(2,6-difluoro-3-pyridinyl)-2-ethoxyethanesulfonamide (PubChem CID 103098115) has the molecular formula C9H12F2N2O3S and a molecular weight of 266.27 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)-2-ethoxyethanesulfonamide
PubChem CID103098115
Molecular FormulaC9H12F2N2O3S
Molecular Weight266.27 g/mol
Exact Mass266.05
IUPAC NameN-(2,6-difluoro-3-pyridinyl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C9H12F2N2O3S/c1-2-16-5-6-17(14,15)13-7-3-4-8(10)12-9(7)11/h3-4,13H,2,5-6H2,1H3
InChIKeyLZJOKWHMUMCZLF-UHFFFAOYSA-N
XLogP1.14
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-pyridinyl)-2-ethoxyethanesulfonamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)-2-ethoxyethanesulfonamide (CID 103098115) is N-(2,6-difluoro-3-pyridinyl)-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)-2-ethoxyethanesulfonamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)Nc1ccc(F)nc1F.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)-2-ethoxyethanesulfonamide?
The InChIKey is LZJOKWHMUMCZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O3S/c1-2-16-5-6-17(14,15)13-7-3-4-8(10)12-9(7)11/h3-4,13H,2,5-6H2,1H3.
What are the key properties of N-(2,6-difluoro-3-pyridinyl)-2-ethoxyethanesulfonamide?
N-(2,6-difluoro-3-pyridinyl)-2-ethoxyethanesulfonamide has a molecular weight of 266.27 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-pyridinyl)-2-ethoxyethanesulfonamide is sourced from PubChem (CID 103098115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).