N-[1-(oxolan-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide

C12H15F3N2O3S — CID 75476542

IUPACN-[1-(oxolan-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(C(F)(F)F)nc1)C1CCOC1
InChIInChI=1S/C12H15F3N2O3S/c1-8(9-4-5-20-7-9)17-21(18,19)10-2-3-11(16-6-10)12(13,14)15/h2-3,6,8-9,17H,4-5,7H2,1H3
InChIKeyJNZFMXSIGJKQCE-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.80
Rot. Bonds4

About N-[1-(oxolan-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide

N-[1-(oxolan-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 75476542) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID75476542
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC NameN-[1-(oxolan-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(C(F)(F)F)nc1)C1CCOC1
InChIInChI=1S/C12H15F3N2O3S/c1-8(9-4-5-20-7-9)17-21(18,19)10-2-3-11(16-6-10)12(13,14)15/h2-3,6,8-9,17H,4-5,7H2,1H3
InChIKeyJNZFMXSIGJKQCE-UHFFFAOYSA-N
XLogP1.80
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-[1-(oxolan-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 75476542) is N-[1-(oxolan-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-[1-(oxolan-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-[1-(oxolan-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide is CC(NS(=O)(=O)c1ccc(C(F)(F)F)nc1)C1CCOC1.
What is the InChIKey of N-[1-(oxolan-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is JNZFMXSIGJKQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c1-8(9-4-5-20-7-9)17-21(18,19)10-2-3-11(16-6-10)12(13,14)15/h2-3,6,8-9,17H,4-5,7H2,1H3.
What are the key properties of N-[1-(oxolan-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-[1-(oxolan-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 324.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 75476542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).