N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide

C13H17F3N2O3S — CID 99820612

IUPACN-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCCN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H17F3N2O3S/c1-2-18(9-10-4-3-7-21-10)22(19,20)11-5-6-12(17-8-11)13(14,15)16/h5-6,8,10H,2-4,7,9H2,1H3/t10-/m1/s1
InChIKeyDHUQKLOMHHMYSE-SNVBAGLBSA-N
MW338.35 g/mol
LogP2.29
Rot. Bonds5

About N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide

N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 99820612) has the molecular formula C13H17F3N2O3S and a molecular weight of 338.35 g/mol. Its IUPAC name is N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID99820612
Molecular FormulaC13H17F3N2O3S
Molecular Weight338.35 g/mol
Exact Mass338.09
IUPAC NameN-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCCN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H17F3N2O3S/c1-2-18(9-10-4-3-7-21-10)22(19,20)11-5-6-12(17-8-11)13(14,15)16/h5-6,8,10H,2-4,7,9H2,1H3/t10-/m1/s1
InChIKeyDHUQKLOMHHMYSE-SNVBAGLBSA-N
XLogP2.29
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 99820612) is N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide is CCN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is DHUQKLOMHHMYSE-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17F3N2O3S/c1-2-18(9-10-4-3-7-21-10)22(19,20)11-5-6-12(17-8-11)13(14,15)16/h5-6,8,10H,2-4,7,9H2,1H3/t10-/m1/s1.
What are the key properties of N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 338.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 99820612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).