N-(oxan-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide

C11H13F3N2O3S — CID 75453647

IUPACN-(oxan-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCCOC1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H13F3N2O3S/c12-11(13,14)10-4-3-9(6-15-10)20(17,18)16-8-2-1-5-19-7-8/h3-4,6,8,16H,1-2,5,7H2
InChIKeyUHJFOJWZTCIIBV-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.56
Rot. Bonds3

About N-(oxan-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide

N-(oxan-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 75453647) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is N-(oxan-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(oxan-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID75453647
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC NameN-(oxan-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCCOC1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H13F3N2O3S/c12-11(13,14)10-4-3-9(6-15-10)20(17,18)16-8-2-1-5-19-7-8/h3-4,6,8,16H,1-2,5,7H2
InChIKeyUHJFOJWZTCIIBV-UHFFFAOYSA-N
XLogP1.56
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-(oxan-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 75453647) is N-(oxan-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(oxan-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(oxan-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide is O=S(=O)(NC1CCCOC1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-(oxan-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is UHJFOJWZTCIIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c12-11(13,14)10-4-3-9(6-15-10)20(17,18)16-8-2-1-5-19-7-8/h3-4,6,8,16H,1-2,5,7H2.
What are the key properties of N-(oxan-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-(oxan-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 310.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 75453647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).