4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide

C15H17FN2O2S — CID 104821544

IUPAC4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(F)n2)cc1
InChIInChI=1S/C15H17FN2O2S/c1-15(2,3)11-7-9-12(10-8-11)21(19,20)18-14-6-4-5-13(16)17-14/h4-10H,1-3H3,(H,17,18)
InChIKeyKXIVTIAVHKLTKP-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.32
Rot. Bonds3

About 4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide

4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide (PubChem CID 104821544) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
PubChem CID104821544
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(F)n2)cc1
InChIInChI=1S/C15H17FN2O2S/c1-15(2,3)11-7-9-12(10-8-11)21(19,20)18-14-6-4-5-13(16)17-14/h4-10H,1-3H3,(H,17,18)
InChIKeyKXIVTIAVHKLTKP-UHFFFAOYSA-N
XLogP3.32
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.32
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

4-chloro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 104821539
N-(6-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
CID 104821551
N-(6-fluoro-2-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide
CID 104821669
5-fluoro-N-(6-fluoro-2-pyridinyl)pyridine-3-sulfonamide
CID 113457005
3-amino-N-(6-fluoro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 116812631
N-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide
CID 104821515
N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutane-1-sulfonamide
CID 103522016
2-chloro-5-[(6-fluoro-2-pyridinyl)sulfamoyl]benzoic acid
CID 116812704
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683562
N-(6-fluoro-2-pyridinyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 104821684
4-tert-butyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038031
2-amino-4-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812633

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide (CID 104821544) is 4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(F)n2)cc1.
What is the InChIKey of 4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide?
The InChIKey is KXIVTIAVHKLTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-15(2,3)11-7-9-12(10-8-11)21(19,20)18-14-6-4-5-13(16)17-14/h4-10H,1-3H3,(H,17,18).
What are the key properties of 4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide?
4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 104821544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).