2-cyano-N-(2,6-difluoro-3-pyridinyl)pyridine-3-sulfonamide

C11H6F2N4O2S — CID 106598901

IUPAC2-cyano-N-(2,6-difluoro-3-pyridinyl)pyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C11H6F2N4O2S/c12-10-4-3-7(11(13)16-10)17-20(18,19)9-2-1-5-15-8(9)6-14/h1-5,17H
InChIKeyYUIDCBCTDSJRJZ-UHFFFAOYSA-N
MW296.26 g/mol
LogP1.43
Rot. Bonds3

About 2-cyano-N-(2,6-difluoro-3-pyridinyl)pyridine-3-sulfonamide

2-cyano-N-(2,6-difluoro-3-pyridinyl)pyridine-3-sulfonamide (PubChem CID 106598901) has the molecular formula C11H6F2N4O2S and a molecular weight of 296.26 g/mol. Its IUPAC name is 2-cyano-N-(2,6-difluoro-3-pyridinyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2,6-difluoro-3-pyridinyl)pyridine-3-sulfonamide
PubChem CID106598901
Molecular FormulaC11H6F2N4O2S
Molecular Weight296.26 g/mol
Exact Mass296.02
IUPAC Name2-cyano-N-(2,6-difluoro-3-pyridinyl)pyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C11H6F2N4O2S/c12-10-4-3-7(11(13)16-10)17-20(18,19)9-2-1-5-15-8(9)6-14/h1-5,17H
InChIKeyYUIDCBCTDSJRJZ-UHFFFAOYSA-N
XLogP1.43
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide
CID 106595373
N-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106595617
N-(4-amino-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106593185
N-(2-bromo-5-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106703755
2-cyano-N-(2-cyanophenyl)pyridine-3-sulfonamide
CID 106595115
N-(5-amino-2,4-difluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106593177
2-cyano-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 106596256
2-bromo-N-(2,6-difluoro-3-pyridinyl)benzenesulfonamide
CID 103098234
N-(2-amino-4-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide
CID 107697867
N-[2-(aminomethyl)phenyl]-2-cyanopyridine-3-sulfonamide
CID 106598520
2-cyano-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 106595467
N-(3-bromo-2-methylphenyl)-2-cyanopyridine-3-sulfonamide
CID 106703731

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,6-difluoro-3-pyridinyl)pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-(2,6-difluoro-3-pyridinyl)pyridine-3-sulfonamide (CID 106598901) is 2-cyano-N-(2,6-difluoro-3-pyridinyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-(2,6-difluoro-3-pyridinyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-(2,6-difluoro-3-pyridinyl)pyridine-3-sulfonamide is N#Cc1ncccc1S(=O)(=O)Nc1ccc(F)nc1F.
What is the InChIKey of 2-cyano-N-(2,6-difluoro-3-pyridinyl)pyridine-3-sulfonamide?
The InChIKey is YUIDCBCTDSJRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N4O2S/c12-10-4-3-7(11(13)16-10)17-20(18,19)9-2-1-5-15-8(9)6-14/h1-5,17H.
What are the key properties of 2-cyano-N-(2,6-difluoro-3-pyridinyl)pyridine-3-sulfonamide?
2-cyano-N-(2,6-difluoro-3-pyridinyl)pyridine-3-sulfonamide has a molecular weight of 296.26 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,6-difluoro-3-pyridinyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106598901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).