N-(6-fluoro-2-pyridinyl)butane-1-sulfonamide

C9H13FN2O2S — CID 104821637

IUPACN-(6-fluoro-2-pyridinyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cccc(F)n1
InChIInChI=1S/C9H13FN2O2S/c1-2-3-7-15(13,14)12-9-6-4-5-8(10)11-9/h4-6H,2-3,7H2,1H3,(H,11,12)
InChIKeyUJAGAJQRGKBBLZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.76
Rot. Bonds5

About N-(6-fluoro-2-pyridinyl)butane-1-sulfonamide

N-(6-fluoro-2-pyridinyl)butane-1-sulfonamide (PubChem CID 104821637) has the molecular formula C9H13FN2O2S and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(6-fluoro-2-pyridinyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-2-pyridinyl)butane-1-sulfonamide
PubChem CID104821637
Molecular FormulaC9H13FN2O2S
Molecular Weight232.28 g/mol
Exact Mass232.07
IUPAC NameN-(6-fluoro-2-pyridinyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cccc(F)n1
InChIInChI=1S/C9H13FN2O2S/c1-2-3-7-15(13,14)12-9-6-4-5-8(10)11-9/h4-6H,2-3,7H2,1H3,(H,11,12)
InChIKeyUJAGAJQRGKBBLZ-UHFFFAOYSA-N
XLogP1.76
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.76
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-2-yl)methanesulfonamide
CID 2831904
N-(6-Aminopyridin-2-Yl)-4-Fluorobenzenesulfonamide
CID 56965955
N-(6-methylpyridin-2-yl)benzenesulfonamide
CID 776896
2,6-Diaminopyridine sulfate
CID 44558316
2-Amino-N-2-pyridinylethanesulfonamide
CID 198103
6-Fluoropyridin-2-amine
CID 2761399
6-Amino-2-pyridinesulfonamide
CID 12684253
N-(6-methylpyridin-2-yl)-1-phenylmethanesulfonamide
CID 798778
N-(5-methylpyridin-2-yl)butane-1-sulfonamide
CID 2094153
6-Methanesulfonylpyridin-2-amine
CID 84654410
4-[(6-Fluoropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
CID 145994356
4-fluoro-N-(6-methylpyridin-2-yl)benzenesulfonamide
CID 798925

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-pyridinyl)butane-1-sulfonamide?
The IUPAC name of N-(6-fluoro-2-pyridinyl)butane-1-sulfonamide (CID 104821637) is N-(6-fluoro-2-pyridinyl)butane-1-sulfonamide.
What is the SMILES notation for N-(6-fluoro-2-pyridinyl)butane-1-sulfonamide?
The canonical SMILES for N-(6-fluoro-2-pyridinyl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1cccc(F)n1.
What is the InChIKey of N-(6-fluoro-2-pyridinyl)butane-1-sulfonamide?
The InChIKey is UJAGAJQRGKBBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2S/c1-2-3-7-15(13,14)12-9-6-4-5-8(10)11-9/h4-6H,2-3,7H2,1H3,(H,11,12).
What are the key properties of N-(6-fluoro-2-pyridinyl)butane-1-sulfonamide?
N-(6-fluoro-2-pyridinyl)butane-1-sulfonamide has a molecular weight of 232.28 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-pyridinyl)butane-1-sulfonamide is sourced from PubChem (CID 104821637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).