3-fluoro-N-octan-2-ylpyridine-2-sulfonamide

C13H21FN2O2S — CID 103299597

IUPAC3-fluoro-N-octan-2-ylpyridine-2-sulfonamide
SMILESCCCCCCC(C)NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C13H21FN2O2S/c1-3-4-5-6-8-11(2)16-19(17,18)13-12(14)9-7-10-15-13/h7,9-11,16H,3-6,8H2,1-2H3
InChIKeySZYHIXGDLLBPLV-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.86
Rot. Bonds8

About 3-fluoro-N-octan-2-ylpyridine-2-sulfonamide

3-fluoro-N-octan-2-ylpyridine-2-sulfonamide (PubChem CID 103299597) has the molecular formula C13H21FN2O2S and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-fluoro-N-octan-2-ylpyridine-2-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-octan-2-ylpyridine-2-sulfonamide
PubChem CID103299597
Molecular FormulaC13H21FN2O2S
Molecular Weight288.39 g/mol
Exact Mass288.13
IUPAC Name3-fluoro-N-octan-2-ylpyridine-2-sulfonamide
SMILESCCCCCCC(C)NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C13H21FN2O2S/c1-3-4-5-6-8-11(2)16-19(17,18)13-12(14)9-7-10-15-13/h7,9-11,16H,3-6,8H2,1-2H3
InChIKeySZYHIXGDLLBPLV-UHFFFAOYSA-N
XLogP2.86
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-(4-hydroxybutan-2-yl)pyridine-2-sulfonamide
CID 103300372
5-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid
CID 103298911
N-heptan-2-yl-3-(methylamino)pyridine-2-sulfonamide
CID 103305626
N-[4-(dimethylamino)butan-2-yl]-3-fluoropyridine-2-sulfonamide
CID 103299907
N-(4-bromopentan-2-yl)-3-fluoropyridine-2-sulfonamide
CID 103308397
2-(ethylamino)-N-octan-2-ylpyridine-3-sulfonamide
CID 63473663
N-(1-cyclopropylpropan-2-yl)-3-fluoropyridine-2-sulfonamide
CID 103300114
N-but-3-en-2-yl-3-fluoropyridine-2-sulfonamide
CID 103300448
3-amino-2,4-difluoro-N-octan-2-ylbenzenesulfonamide
CID 107343405
N-(2-chloropropyl)-3-fluoropyridine-2-sulfonamide
CID 103308189
3-fluoro-N,N-dipentylpyridine-2-sulfonamide
CID 103299737
2-hydroxy-N-octan-2-ylbenzenesulfonamide
CID 81241205

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-octan-2-ylpyridine-2-sulfonamide?
The IUPAC name of 3-fluoro-N-octan-2-ylpyridine-2-sulfonamide (CID 103299597) is 3-fluoro-N-octan-2-ylpyridine-2-sulfonamide.
What is the SMILES notation for 3-fluoro-N-octan-2-ylpyridine-2-sulfonamide?
The canonical SMILES for 3-fluoro-N-octan-2-ylpyridine-2-sulfonamide is CCCCCCC(C)NS(=O)(=O)c1ncccc1F.
What is the InChIKey of 3-fluoro-N-octan-2-ylpyridine-2-sulfonamide?
The InChIKey is SZYHIXGDLLBPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2S/c1-3-4-5-6-8-11(2)16-19(17,18)13-12(14)9-7-10-15-13/h7,9-11,16H,3-6,8H2,1-2H3.
What are the key properties of 3-fluoro-N-octan-2-ylpyridine-2-sulfonamide?
3-fluoro-N-octan-2-ylpyridine-2-sulfonamide has a molecular weight of 288.39 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-octan-2-ylpyridine-2-sulfonamide is sourced from PubChem (CID 103299597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).