N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide

C13H17F3N2O3S — CID 75476563

IUPACN-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCN(CC1CCOCC1)S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H17F3N2O3S/c1-18(9-10-4-6-21-7-5-10)22(19,20)11-2-3-12(17-8-11)13(14,15)16/h2-3,8,10H,4-7,9H2,1H3
InChIKeyHLUTXZRLULOZDJ-UHFFFAOYSA-N
MW338.35 g/mol
LogP2.15
Rot. Bonds4

About N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide

N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 75476563) has the molecular formula C13H17F3N2O3S and a molecular weight of 338.35 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID75476563
Molecular FormulaC13H17F3N2O3S
Molecular Weight338.35 g/mol
Exact Mass338.09
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCN(CC1CCOCC1)S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H17F3N2O3S/c1-18(9-10-4-6-21-7-5-10)22(19,20)11-2-3-12(17-8-11)13(14,15)16/h2-3,8,10H,4-7,9H2,1H3
InChIKeyHLUTXZRLULOZDJ-UHFFFAOYSA-N
XLogP2.15
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 75476563) is N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide is CN(CC1CCOCC1)S(=O)(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is HLUTXZRLULOZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3S/c1-18(9-10-4-6-21-7-5-10)22(19,20)11-2-3-12(17-8-11)13(14,15)16/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 338.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 75476563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).