2-(2,2-difluoroethoxy)-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpyridine

C13H18F2N2O3S — CID 126823531

IUPAC2-(2,2-difluoroethoxy)-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpyridine
SMILESCC1(C)CCCN1S(=O)(=O)c1cccnc1OCC(F)F
InChIInChI=1S/C13H18F2N2O3S/c1-13(2)6-4-8-17(13)21(18,19)10-5-3-7-16-12(10)20-9-11(14)15/h3,5,7,11H,4,6,8-9H2,1-2H3
InChIKeyVCJHRGHILKNUTN-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.29
Rot. Bonds5

About 2-(2,2-difluoroethoxy)-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpyridine

2-(2,2-difluoroethoxy)-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpyridine (PubChem CID 126823531) has the molecular formula C13H18F2N2O3S and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpyridine
PubChem CID126823531
Molecular FormulaC13H18F2N2O3S
Molecular Weight320.36 g/mol
Exact Mass320.10
IUPAC Name2-(2,2-difluoroethoxy)-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpyridine
SMILESCC1(C)CCCN1S(=O)(=O)c1cccnc1OCC(F)F
InChIInChI=1S/C13H18F2N2O3S/c1-13(2)6-4-8-17(13)21(18,19)10-5-3-7-16-12(10)20-9-11(14)15/h3,5,7,11H,4,6,8-9H2,1-2H3
InChIKeyVCJHRGHILKNUTN-UHFFFAOYSA-N
XLogP2.29
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methanamine
CID 63220011
4-chloro-2-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline
CID 55162313
(1S,5S)-2-[(2-ethoxy-3-pyridinyl)sulfonyl]-2-azabicyclo[3.2.0]heptane-1-carboxylic acid
CID 166287953
1-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-4-pyridin-2-ylpiperazine
CID 167750740
4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine
CID 55162312
4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-N-ethylaniline
CID 63219174
1-(2,4-dibromophenyl)sulfonyl-2,2-dimethylpyrrolidine
CID 63219170
4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline
CID 63215909
1-(4-bromophenyl)sulfonyl-2,2-dimethylpyrrolidine
CID 63219211
[4-[(2-ethoxy-3-pyridinyl)sulfonyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 167801103
1-(2-tert-butylphenyl)sulfonyl-2,2-dimethylazetidine
CID 90164965
2-(2,2-difluoroethoxy)-3-nitropyridine
CID 58413333

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpyridine?
The IUPAC name of 2-(2,2-difluoroethoxy)-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpyridine (CID 126823531) is 2-(2,2-difluoroethoxy)-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpyridine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpyridine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpyridine is CC1(C)CCCN1S(=O)(=O)c1cccnc1OCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpyridine?
The InChIKey is VCJHRGHILKNUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3S/c1-13(2)6-4-8-17(13)21(18,19)10-5-3-7-16-12(10)20-9-11(14)15/h3,5,7,11H,4,6,8-9H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethoxy)-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpyridine?
2-(2,2-difluoroethoxy)-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpyridine has a molecular weight of 320.36 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 2-(2,2-difluoroethoxy)-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpyridine is sourced from PubChem (CID 126823531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).