N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

C12H15F3N2O3S — CID 71796153

IUPACN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(c1cccnc1)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C12H15F3N2O3S/c13-12(14,15)9-17(10-3-6-20-7-4-10)21(18,19)11-2-1-5-16-8-11/h1-2,5,8,10H,3-4,6-7,9H2
InChIKeySWSZFHASXDATOV-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.81
Rot. Bonds4

About N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (PubChem CID 71796153) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
PubChem CID71796153
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC NameN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(c1cccnc1)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C12H15F3N2O3S/c13-12(14,15)9-17(10-3-6-20-7-4-10)21(18,19)11-2-1-5-16-8-11/h1-2,5,8,10H,3-4,6-7,9H2
InChIKeySWSZFHASXDATOV-UHFFFAOYSA-N
XLogP1.81
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Piperidin-1-ylsulphonyl)pyridine
CID 3623948
3-(Morpholinosulfonyl)pyridine
CID 4276436
6-(Trifluoromethyl)pyridine-3-sulfonamide
CID 59268886
6-Fluoropyridine-3-sulfonamide
CID 114953236
2-Fluoropyridine-3-sulfonamide
CID 129491008
N,N-Dimethylpyridine-3-sulfonamide
CID 12711515
N-pyridin-3-ylsulfonyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 60493632
4-{2-[1-(3-Pyridinylsulfonyl)-2-piperidinyl]ethyl}morpholine
CID 70720389
N-(oxan-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75453647
N-(2,2-dimethylpropyl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 84600539
N-(oxolan-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 84600733
N-(Oxan-4-YL)-N-[1-(pyridine-3-sulfonyl)piperidin-4-YL]propanamide
CID 91906139

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The IUPAC name of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (CID 71796153) is N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is O=S(=O)(c1cccnc1)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The InChIKey is SWSZFHASXDATOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c13-12(14,15)9-17(10-3-6-20-7-4-10)21(18,19)11-2-1-5-16-8-11/h1-2,5,8,10H,3-4,6-7,9H2.
What are the key properties of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide has a molecular weight of 324.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 71796153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).