1-cyano-N-(2,6-difluoro-3-pyridinyl)ethanesulfonamide

C8H7F2N3O2S — CID 103098247

IUPAC1-cyano-N-(2,6-difluoro-3-pyridinyl)ethanesulfonamide
SMILESCC(C#N)S(=O)(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C8H7F2N3O2S/c1-5(4-11)16(14,15)13-6-2-3-7(9)12-8(6)10/h2-3,5,13H,1H3
InChIKeyQNHUBAZGDZQIKF-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.01
Rot. Bonds3

About 1-cyano-N-(2,6-difluoro-3-pyridinyl)ethanesulfonamide

1-cyano-N-(2,6-difluoro-3-pyridinyl)ethanesulfonamide (PubChem CID 103098247) has the molecular formula C8H7F2N3O2S and a molecular weight of 247.23 g/mol. Its IUPAC name is 1-cyano-N-(2,6-difluoro-3-pyridinyl)ethanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(2,6-difluoro-3-pyridinyl)ethanesulfonamide
PubChem CID103098247
Molecular FormulaC8H7F2N3O2S
Molecular Weight247.23 g/mol
Exact Mass247.02
IUPAC Name1-cyano-N-(2,6-difluoro-3-pyridinyl)ethanesulfonamide
SMILESCC(C#N)S(=O)(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C8H7F2N3O2S/c1-5(4-11)16(14,15)13-6-2-3-7(9)12-8(6)10/h2-3,5,13H,1H3
InChIKeyQNHUBAZGDZQIKF-UHFFFAOYSA-N
XLogP1.01
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.01
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

N-(2,6-difluoro-3-pyridinyl)methanesulfonamide
CID 103098097
N-(2,6-difluoro-3-pyridinyl)-1-methylsulfonylmethanesulfonamide
CID 103098172
N-(2-chloro-4-iodophenyl)-1-cyanoethanesulfonamide
CID 107605663
1-cyano-N-pyridazin-3-ylethanesulfonamide
CID 116787093
2-cyano-N-(2,6-difluoro-3-pyridinyl)pyridine-3-sulfonamide
CID 106598901
1-cyano-N-(1,3-dimethylpyrazol-4-yl)ethanesulfonamide
CID 102805691
3-(1-cyanoethylsulfonylamino)pyridine-2-carboxylic acid
CID 104740574
2-(1-cyanoethylsulfonylamino)-N-methylbenzamide
CID 75438949
1-cyano-N-(1,2,4-triazin-3-yl)ethanesulfonamide
CID 114387990
N-(2,6-difluoro-3-pyridinyl)piperidine-1-sulfonamide
CID 103098209
2-bromo-N-(2,6-difluoro-3-pyridinyl)benzenesulfonamide
CID 103098234
2-chloro-N-(2,6-difluoro-3-pyridinyl)-4-methylbenzenesulfonamide
CID 103098259

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2,6-difluoro-3-pyridinyl)ethanesulfonamide?
The IUPAC name of 1-cyano-N-(2,6-difluoro-3-pyridinyl)ethanesulfonamide (CID 103098247) is 1-cyano-N-(2,6-difluoro-3-pyridinyl)ethanesulfonamide.
What is the SMILES notation for 1-cyano-N-(2,6-difluoro-3-pyridinyl)ethanesulfonamide?
The canonical SMILES for 1-cyano-N-(2,6-difluoro-3-pyridinyl)ethanesulfonamide is CC(C#N)S(=O)(=O)Nc1ccc(F)nc1F.
What is the InChIKey of 1-cyano-N-(2,6-difluoro-3-pyridinyl)ethanesulfonamide?
The InChIKey is QNHUBAZGDZQIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O2S/c1-5(4-11)16(14,15)13-6-2-3-7(9)12-8(6)10/h2-3,5,13H,1H3.
What are the key properties of 1-cyano-N-(2,6-difluoro-3-pyridinyl)ethanesulfonamide?
1-cyano-N-(2,6-difluoro-3-pyridinyl)ethanesulfonamide has a molecular weight of 247.23 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2,6-difluoro-3-pyridinyl)ethanesulfonamide is sourced from PubChem (CID 103098247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).