N-(2,6-difluoro-3-pyridinyl)butane-1-sulfonamide

C9H12F2N2O2S — CID 103098076

IUPACN-(2,6-difluoro-3-pyridinyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C9H12F2N2O2S/c1-2-3-6-16(14,15)13-7-4-5-8(10)12-9(7)11/h4-5,13H,2-3,6H2,1H3
InChIKeyBSVQAOREEUEJRV-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.90
Rot. Bonds5

About N-(2,6-difluoro-3-pyridinyl)butane-1-sulfonamide

N-(2,6-difluoro-3-pyridinyl)butane-1-sulfonamide (PubChem CID 103098076) has the molecular formula C9H12F2N2O2S and a molecular weight of 250.27 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)butane-1-sulfonamide
PubChem CID103098076
Molecular FormulaC9H12F2N2O2S
Molecular Weight250.27 g/mol
Exact Mass250.06
IUPAC NameN-(2,6-difluoro-3-pyridinyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C9H12F2N2O2S/c1-2-3-6-16(14,15)13-7-4-5-8(10)12-9(7)11/h4-5,13H,2-3,6H2,1H3
InChIKeyBSVQAOREEUEJRV-UHFFFAOYSA-N
XLogP1.90
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(pyridin-3-yl)ethane-1-sulfonamide
CID 4380737
2,6-Difluoropyridin-3-amine
CID 45080006
2-(Trifluoromethyl sulfonylaminomethyl)-6-methyl pyridine
CID 86218781
N-[6-(trifluoromethyl)-3-pyridinyl]but-3-ene-1-sulfonamide
CID 86781415
N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]ethanesulfonamide
CID 125443306
2-Fluoro-6-methylsulfonylpyridin-3-amine
CID 58414790
2,2,2-trifluoro-N-[6-[(E)-prop-1-enyl]-3-pyridinyl]ethanesulfonamide
CID 59156623
2,2,2-trifluoro-N-(6-prop-1-enyl-3-pyridinyl)ethanesulfonamide
CID 72543588
N-[2-iodo-6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide
CID 86098630
N-(6-Fluoropyridin-3-yl)methanesulfonamide
CID 103777916
N-(6-Fluoropyridin-3-yl)ethanesulfonamide
CID 104922560
N-(5-fluoro-3-pyridinyl)ethanesulfonamide
CID 110872348

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-pyridinyl)butane-1-sulfonamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)butane-1-sulfonamide (CID 103098076) is N-(2,6-difluoro-3-pyridinyl)butane-1-sulfonamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)butane-1-sulfonamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(F)nc1F.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)butane-1-sulfonamide?
The InChIKey is BSVQAOREEUEJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2S/c1-2-3-6-16(14,15)13-7-4-5-8(10)12-9(7)11/h4-5,13H,2-3,6H2,1H3.
What are the key properties of N-(2,6-difluoro-3-pyridinyl)butane-1-sulfonamide?
N-(2,6-difluoro-3-pyridinyl)butane-1-sulfonamide has a molecular weight of 250.27 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-pyridinyl)butane-1-sulfonamide is sourced from PubChem (CID 103098076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).