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

C13H17F3N2O3S — CID 99820611

IUPACN-ethyl-N-[[(2S)-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-/m0/s1
InChIKeyDHUQKLOMHHMYSE-JTQLQIEISA-N
MW338.35 g/mol
LogP2.29
Rot. Bonds5

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

N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 99820611) has the molecular formula C13H17F3N2O3S and a molecular weight of 338.35 g/mol. Its IUPAC name is N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID99820611
Molecular FormulaC13H17F3N2O3S
Molecular Weight338.35 g/mol
Exact Mass338.09
IUPAC NameN-ethyl-N-[[(2S)-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-/m0/s1
InChIKeyDHUQKLOMHHMYSE-JTQLQIEISA-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

Analyze N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-Ethyl-piperidine-1-sulfonyl)-N-pyridin-2-ylmethyl-N-(tetrahydro-furan-2-ylmethyl)-benzenesulfonamide
CID 3189908
2-[[2-Methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-6-[1-(oxolan-2-yl)ethyl]-2,6-diazaspiro[3.3]heptane
CID 172470685
N-(Oxan-4-YL)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 71796153
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
4-[(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]morpholine
CID 129398340
2-[(2S)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]propan-2-ol
CID 129398349
5-Methyl-2-pyridin-2-yl-3-(trifluoromethylsulfonyl)-4,5-dihydro-1,3-oxazol-3-ium
CID 134860472
5-fluoro-N-[1-(oxolan-2-yl)ethyl]pyridine-3-sulfonamide
CID 75418275
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-3-sulfonamide
CID 126810877
N-methyl-2-morpholin-4-yl-N-{[1-(phenylsulfonyl)-1H-pyrrol-2-yl]methyl}ethanamine
CID 131893435

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 99820611) is N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-N-[[(2S)-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-[[(2S)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is DHUQKLOMHHMYSE-JTQLQIEISA-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-/m0/s1.
What are the key properties of N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-ethyl-N-[[(2S)-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-[[(2S)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 99820611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).