5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)pyridine

C11H13F3N2O3S — CID 75448158

IUPAC5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)pyridine
SMILESO=S(=O)(c1ccc(OCC(F)(F)F)nc1)N1CCCC1
InChIInChI=1S/C11H13F3N2O3S/c12-11(13,14)8-19-10-4-3-9(7-15-10)20(17,18)16-5-1-2-6-16/h3-4,7H,1-2,5-6,8H2
InChIKeyBTSPREYWVWSNNF-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.81
Rot. Bonds4

About 5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)pyridine

5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 75448158) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is 5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)pyridine
PubChem CID75448158
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Name5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)pyridine
SMILESO=S(=O)(c1ccc(OCC(F)(F)F)nc1)N1CCCC1
InChIInChI=1S/C11H13F3N2O3S/c12-11(13,14)8-19-10-4-3-9(7-15-10)20(17,18)16-5-1-2-6-16/h3-4,7H,1-2,5-6,8H2
InChIKeyBTSPREYWVWSNNF-UHFFFAOYSA-N
XLogP1.81
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268013
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 55712190
1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]sulfonyl]-3,4-dihydro-2H-quinoline
CID 126769651
2-methoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268012
[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26112095
2-propan-2-yloxy-5-pyrrolidin-1-ylsulfonylpyridine
CID 5268219
(3aS,6aR)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]sulfonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122070674
5-(azepan-1-ylsulfonyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 3688661
8-(benzenesulfonyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 59577892
(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)methanamine
CID 114613060
N-cyclopropyl-N-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide
CID 75448162
2-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 133446162

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)pyridine (CID 75448158) is 5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)pyridine is O=S(=O)(c1ccc(OCC(F)(F)F)nc1)N1CCCC1.
What is the InChIKey of 5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is BTSPREYWVWSNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c12-11(13,14)8-19-10-4-3-9(7-15-10)20(17,18)16-5-1-2-6-16/h3-4,7H,1-2,5-6,8H2.
What are the key properties of 5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)pyridine?
5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 310.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 75448158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).