(1R,2R,4R)-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C13H13F3N2O4S — CID 100633749

IUPAC(1R,2R,4R)-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(C(F)(F)F)cn1)[C@@H]1C[C@H]2CC[C@H]1O2
InChIInChI=1S/C13H13F3N2O4S/c14-13(15,16)7-1-4-11(17-6-7)23(20,21)18-12(19)9-5-8-2-3-10(9)22-8/h1,4,6,8-10H,2-3,5H2,(H,18,19)/t8-,9-,10-/m1/s1
InChIKeyNYEOFIOFQUHFPN-OPRDCNLKSA-N
MW350.32 g/mol
LogP1.47
Rot. Bonds3

About (1R,2R,4R)-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

(1R,2R,4R)-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 100633749) has the molecular formula C13H13F3N2O4S and a molecular weight of 350.32 g/mol. Its IUPAC name is (1R,2R,4R)-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4R)-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID100633749
Molecular FormulaC13H13F3N2O4S
Molecular Weight350.32 g/mol
Exact Mass350.05
IUPAC Name(1R,2R,4R)-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(C(F)(F)F)cn1)[C@@H]1C[C@H]2CC[C@H]1O2
InChIInChI=1S/C13H13F3N2O4S/c14-13(15,16)7-1-4-11(17-6-7)23(20,21)18-12(19)9-5-8-2-3-10(9)22-8/h1,4,6,8-10H,2-3,5H2,(H,18,19)/t8-,9-,10-/m1/s1
InChIKeyNYEOFIOFQUHFPN-OPRDCNLKSA-N
XLogP1.47
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,2R,4R)-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-7-oxabicyclo[2.2.1]heptane-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

Related Compounds

3-cyclopropyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide
CID 166231144
2-cyclohexyloxy-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetamide
CID 99707391
(1S,2R,4R)-N-(2-cyclopentylethylsulfonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 136582704
(5-tert-butyl-2-pyridinyl)sulfonylcarbamic acid
CID 164566528
5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride
CID 174615079
(1R,2S,4R)-N-[2-(4-methoxyphenyl)-2-methylpropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129377795
(1R,2R,4S)-N-[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 166292898
5-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)pyridine-2-carboxylic acid
CID 126835225
N-(4-pyridin-4-ylsulfanylphenyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 166230075
methyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetate
CID 2800689
(1S,2R,4R)-N-benzyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 124504672
8-chloro-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 166317933

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,4R)-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 100633749) is (1R,2R,4R)-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,4R)-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,4R)-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is O=C(NS(=O)(=O)c1ccc(C(F)(F)F)cn1)[C@@H]1C[C@H]2CC[C@H]1O2.
What is the InChIKey of (1R,2R,4R)-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is NYEOFIOFQUHFPN-OPRDCNLKSA-N. The full InChI is InChI=1S/C13H13F3N2O4S/c14-13(15,16)7-1-4-11(17-6-7)23(20,21)18-12(19)9-5-8-2-3-10(9)22-8/h1,4,6,8-10H,2-3,5H2,(H,18,19)/t8-,9-,10-/m1/s1.
What are the key properties of (1R,2R,4R)-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,4R)-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 350.32 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 (1R,2R,4R)-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 100633749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).