(2S,5R)-5-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]oxolane-2-carboxamide

C12H13F3N2O4S — CID 99706571

IUPAC(2S,5R)-5-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]oxolane-2-carboxamide
SMILESC[C@@H]1CC[C@@H](C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cn2)O1
InChIInChI=1S/C12H13F3N2O4S/c1-7-2-4-9(21-7)11(18)17-22(19,20)10-5-3-8(6-16-10)12(13,14)15/h3,5-7,9H,2,4H2,1H3,(H,17,18)/t7-,9+/m1/s1
InChIKeyTXPXJXUDIKLZHF-APPZFPTMSA-N
MW338.31 g/mol
LogP1.47
Rot. Bonds3

About (2S,5R)-5-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]oxolane-2-carboxamide

(2S,5R)-5-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]oxolane-2-carboxamide (PubChem CID 99706571) has the molecular formula C12H13F3N2O4S and a molecular weight of 338.31 g/mol. Its IUPAC name is (2S,5R)-5-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]oxolane-2-carboxamide
PubChem CID99706571
Molecular FormulaC12H13F3N2O4S
Molecular Weight338.31 g/mol
Exact Mass338.05
IUPAC Name(2S,5R)-5-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]oxolane-2-carboxamide
SMILESC[C@@H]1CC[C@@H](C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cn2)O1
InChIInChI=1S/C12H13F3N2O4S/c1-7-2-4-9(21-7)11(18)17-22(19,20)10-5-3-8(6-16-10)12(13,14)15/h3,5-7,9H,2,4H2,1H3,(H,17,18)/t7-,9+/m1/s1
InChIKeyTXPXJXUDIKLZHF-APPZFPTMSA-N
XLogP1.47
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,5R)-5-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]oxolane-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]oxolane-2-carboxamide (CID 99706571) is (2S,5R)-5-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]oxolane-2-carboxamide is C[C@@H]1CC[C@@H](C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cn2)O1.
What is the InChIKey of (2S,5R)-5-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]oxolane-2-carboxamide?
The InChIKey is TXPXJXUDIKLZHF-APPZFPTMSA-N. The full InChI is InChI=1S/C12H13F3N2O4S/c1-7-2-4-9(21-7)11(18)17-22(19,20)10-5-3-8(6-16-10)12(13,14)15/h3,5-7,9H,2,4H2,1H3,(H,17,18)/t7-,9+/m1/s1.
What are the key properties of (2S,5R)-5-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]oxolane-2-carboxamide?
(2S,5R)-5-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]oxolane-2-carboxamide has a molecular weight of 338.31 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]oxolane-2-carboxamide is sourced from PubChem (CID 99706571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).