N-(2,2-dimethyloxan-4-yl)-3-fluoropyridine-2-sulfonamide

C12H17FN2O3S — CID 103300360

IUPACN-(2,2-dimethyloxan-4-yl)-3-fluoropyridine-2-sulfonamide
SMILESCC1(C)CC(NS(=O)(=O)c2ncccc2F)CCO1
InChIInChI=1S/C12H17FN2O3S/c1-12(2)8-9(5-7-18-12)15-19(16,17)11-10(13)4-3-6-14-11/h3-4,6,9,15H,5,7-8H2,1-2H3
InChIKeyXIDXOHVGQIWHLV-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.46
Rot. Bonds3

About N-(2,2-dimethyloxan-4-yl)-3-fluoropyridine-2-sulfonamide

N-(2,2-dimethyloxan-4-yl)-3-fluoropyridine-2-sulfonamide (PubChem CID 103300360) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-3-fluoropyridine-2-sulfonamide
PubChem CID103300360
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC NameN-(2,2-dimethyloxan-4-yl)-3-fluoropyridine-2-sulfonamide
SMILESCC1(C)CC(NS(=O)(=O)c2ncccc2F)CCO1
InChIInChI=1S/C12H17FN2O3S/c1-12(2)8-9(5-7-18-12)15-19(16,17)11-10(13)4-3-6-14-11/h3-4,6,9,15H,5,7-8H2,1-2H3
InChIKeyXIDXOHVGQIWHLV-UHFFFAOYSA-N
XLogP1.46
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(oxan-3-yl)pyridine-2-sulfonamide
CID 103300080
3-fluoro-N-(4-hydroxycyclohexyl)pyridine-2-sulfonamide
CID 103299013
3-fluoro-N-(2-methylcyclopropyl)pyridine-2-sulfonamide
CID 103300003
5-amino-N-(2,2-dimethyloxan-4-yl)-2,4-difluorobenzenesulfonamide
CID 83034972
2-bromo-N-(2,2-dimethyloxan-4-yl)-4-fluorobenzenesulfonamide
CID 115563559
N-(2,2-dimethyloxan-4-yl)-2-methylpyridin-3-amine
CID 79042204
4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 83027811
N-(2,2-dimethyloxan-4-yl)-2-(methylamino)benzenesulfonamide
CID 83040379
N-(3-ethoxycyclobutyl)-3-fluoropyridine-2-sulfonamide
CID 114118992
4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 115563563
2-amino-5-bromo-N-(2,2-dimethyloxan-4-yl)-4-fluorobenzenesulfonamide
CID 106491998
N-(2-bromocyclopentyl)-3-fluoropyridine-2-sulfonamide
CID 103302197

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-3-fluoropyridine-2-sulfonamide (CID 103300360) is N-(2,2-dimethyloxan-4-yl)-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-3-fluoropyridine-2-sulfonamide is CC1(C)CC(NS(=O)(=O)c2ncccc2F)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-3-fluoropyridine-2-sulfonamide?
The InChIKey is XIDXOHVGQIWHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-12(2)8-9(5-7-18-12)15-19(16,17)11-10(13)4-3-6-14-11/h3-4,6,9,15H,5,7-8H2,1-2H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-3-fluoropyridine-2-sulfonamide?
N-(2,2-dimethyloxan-4-yl)-3-fluoropyridine-2-sulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103300360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).